| Year |
Citation |
Score |
| 2022 |
Polak MP, Jacobs R, Mannodi-Kanakkithodi A, Chan MKY, Morgan D. Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets. The Journal of Chemical Physics. 156: 114110. PMID 35317590 DOI: 10.1063/5.0083877 |
0.447 |
|
| 2020 |
Lucas RC, Morgan D, Kuech TF. Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAsBi. The Journal of Physical Chemistry. A. PMID 32027504 DOI: 10.1021/Acs.Jpca.9B10399 |
0.33 |
|
| 2020 |
Shourov EH, Jacobs R, Behn WA, Krebs ZJ, Zhang C, Strohbeen PJ, Du D, Voyles PM, Brar VW, Morgan DD, Kawasaki JK. Semi-adsorption-controlled growth window for half-Heusler FeVSb epitaxial films Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.073401 |
0.334 |
|
| 2020 |
Ma T, Jacobs R, Booske J, Morgan D. Understanding the interplay of surface structure and work function in oxides: A case study on SrTiO3 Apl Materials. 8: 71110. DOI: 10.1063/1.5143325 |
0.338 |
|
| 2020 |
Xi J, Liu C, Morgan D, Szlufarska I. An Unexpected Role of H During SiC Corrosion in Water The Journal of Physical Chemistry C. 124: 9394-9400. DOI: 10.1021/Acs.Jpcc.0C02027 |
0.302 |
|
| 2020 |
Guan Y, Luo G, Morgan D, Babcock SE, Kuech TF. Thermodynamic stability analysis of Bi-containing III-V quaternary alloys and the effect of epitaxial strain Journal of Physics and Chemistry of Solids. 138: 109245. DOI: 10.1016/J.Jpcs.2019.109245 |
0.647 |
|
| 2019 |
Yin X, Wang Y, Jacobs R, Shi Y, Szlufarska I, Morgan D, Wang X. Massive Vacancy Concentration Yields Strong Room-Temperature Ferromagnetism in Two-Dimensional ZnO. Nano Letters. PMID 31524409 DOI: 10.1021/Acs.Nanolett.9B02581 |
0.342 |
|
| 2019 |
Almirall N, Wells PB, Ke H, Edmondson P, Morgan D, Yamamoto T, Odette GR. On the Elevated Temperature Thermal Stability of Nanoscale Mn-Ni-Si Precipitates Formed at Lower Temperature in Highly Irradiated Reactor Pressure Vessel Steels. Scientific Reports. 9: 9587. PMID 31270423 DOI: 10.1038/S41598-019-45944-Z |
0.33 |
|
| 2019 |
Cao Y, Gadre MJ, Ngo AT, Adler SB, Morgan DD. Factors controlling surface oxygen exchange in oxides. Nature Communications. 10: 1346. PMID 30902977 DOI: 10.1038/S41467-019-08674-4 |
0.781 |
|
| 2019 |
Jacobs R, Hwang J, Shao-Horn Y, Morgan D. Assessing Correlations of Perovskite Catalytic Performance with Electronic Structure Descriptors Chemistry of Materials. 31: 785-797. DOI: 10.1021/Acs.Chemmater.8B03840 |
0.323 |
|
| 2019 |
Hwang J, Feng Z, Charles N, Wang XR, Lee D, Stoerzinger KA, Muy S, Rao RR, Lee D, Jacobs R, Morgan D, Shao-Horn Y. Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity Materials Today. 31: 100-118. DOI: 10.1016/J.Mattod.2019.03.014 |
0.357 |
|
| 2019 |
Shu S, Wells PB, Odette GR, Morgan DD. A kinetic lattice Monte Carlo study of post-irradiation annealing of model reactor pressure vessel steels Journal of Nuclear Materials. 524: 312-322. DOI: 10.1016/J.Jnucmat.2019.07.018 |
0.351 |
|
| 2019 |
Maldonis JJ, Xu Z, Song Z, Yu M, Mayeshiba T, Morgan D, Voyles PM. StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies Computational Materials Science. 160: 1-8. DOI: 10.1016/J.Commatsci.2018.12.052 |
0.304 |
|
| 2019 |
Ke J, Reese ER, Marquis EA, Odette GR, Morgan D. Flux effects in precipitation under irradiation – Simulation of Fe-Cr alloys Acta Materialia. 164: 586-601. DOI: 10.1016/J.Actamat.2018.10.063 |
0.327 |
|
| 2019 |
Jacobs R, Luo G, Morgan D. Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High‐Efficiency Solar Cells Advanced Functional Materials. 29: 1804354. DOI: 10.1002/Adfm.201804354 |
0.615 |
|
| 2018 |
Meyer TL, Jacobs R, Lee D, Jiang L, Freeland JW, Sohn C, Egami T, Morgan D, Lee HN. Strain control of oxygen kinetics in the Ruddlesden-Popper oxide La1.85Sr0.15CuO4. Nature Communications. 9: 92. PMID 29311690 DOI: 10.1038/S41467-017-02568-Z |
0.327 |
|
| 2018 |
Zhou S, Jacobs R, Xie W, Tea E, Hin C, Morgan D. Combined ab initio and empirical model of the thermal conductivity of uranium, uranium-zirconium, and uranium-molybdenum Physical Review Materials. 2: 83401. DOI: 10.1103/Physrevmaterials.2.083401 |
0.386 |
|
| 2018 |
Luo G, Kuech TF, Morgan D. Transition state redox during dynamical processes in semiconductors and insulators Npg Asia Materials. 10: 45-51. DOI: 10.1038/S41427-018-0010-0 |
0.619 |
|
| 2018 |
Xu S, Jacobs R, Morgan D. Factors Controlling Oxygen Interstitial Diffusion in the Ruddlesden–Popper Oxide La2–xSrxNiO4+δ Chemistry of Materials. 30: 7166-7177. DOI: 10.1021/Acs.Chemmater.8B03146 |
0.317 |
|
| 2018 |
Gialampouki MA, Xu S, Morgan D. Iron valence and partitioning between post-perovskite and ferropericlase in the Earth’s lowermost mantle Physics of the Earth and Planetary Interiors. 282: 110-116. DOI: 10.1016/J.Pepi.2018.06.005 |
0.315 |
|
| 2018 |
Ke J, Ke H, Odette GR, Morgan D. Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation Journal of Nuclear Materials. 498: 83-88. DOI: 10.1016/J.Jnucmat.2017.10.008 |
0.308 |
|
| 2018 |
Li W, Jacobs R, Morgan D. Predicting the thermodynamic stability of perovskite oxides using machine learning models Computational Materials Science. 150: 454-463. DOI: 10.1016/J.Commatsci.2018.04.033 |
0.343 |
|
| 2018 |
Xie W, Morgan D. CALPHAD modeling and ab initio calculations of the Np-U-Zr system Computational Materials Science. 143: 505-514. DOI: 10.1016/J.Commatsci.2017.11.042 |
0.424 |
|
| 2018 |
Shu S, Wells PB, Almirall N, Odette GR, Morgan DD. Thermodynamics and kinetics of core-shell versus appendage co-precipitation morphologies: An example in the Fe-Cu-Mn-Ni-Si system Acta Materialia. 157: 298-306. DOI: 10.1016/J.Actamat.2018.07.037 |
0.342 |
|
| 2018 |
Shu S, Almirall N, Wells PB, Yamamoto T, Odette GR, Morgan DD. Precipitation in Fe-Cu and Fe-Cu-Mn model alloys under irradiation: Dose rate effects Acta Materialia. 157: 72-82. DOI: 10.1016/J.Actamat.2018.07.017 |
0.311 |
|
| 2018 |
Lu H, Wu H, Zou N, Lu X, He Y, Morgan D. First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloys Acta Materialia. 154: 161-171. DOI: 10.1016/J.Actamat.2018.05.015 |
0.347 |
|
| 2018 |
Jacobs R, Mayeshiba T, Booske J, Morgan D. Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells Advanced Energy Materials. 8: 1702708. DOI: 10.1002/Aenm.201702708 |
0.341 |
|
| 2017 |
Shim SH, Grocholski B, Ye Y, Alp EE, Xu S, Morgan D, Meng Y, Prakapenka VB. Stability of ferrous-iron-rich bridgmanite under reducing midmantle conditions. Proceedings of the National Academy of Sciences of the United States of America. PMID 28584106 DOI: 10.1073/Pnas.1614036114 |
0.316 |
|
| 2017 |
Xu S, Luo G, Jacobs R, Fang S, Mahanthappa MK, Hamers RJ, Morgan D. Ab-initio modeling of electrolyte molecule Ethylene Carbonate decomposition reaction on Li(Ni,Mn,Co)O2 cathode surface. Acs Applied Materials & Interfaces. PMID 28557415 DOI: 10.1021/Acsami.7B03435 |
0.78 |
|
| 2017 |
Laskar MR, Jackson DH, Xu S, Hamers RJ, Morgan D, Kuech TF. Atomic Layer Deposited MgO: A Lower Overpotential Coating for Li[Ni0.5Mn0.3Co0.2]O2 Cathode. Acs Applied Materials & Interfaces. PMID 28252289 DOI: 10.1021/Acsami.6B16562 |
0.31 |
|
| 2017 |
Tung I, Luo G, Lee JH, Chang SH, Moyer J, Hong H, Bedzyk MJ, Zhou H, Morgan D, Fong DD, Freeland JW. Polarity-driven oxygen vacancy formation in ultrathin
LaNiO3
films on
SrTiO3 Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.053404 |
0.604 |
|
| 2017 |
Lee Y, Duan Y, Morgan D, Sorescu DC, Abernathy H, Hackett G. Density-Functional-Theory Modeling of Cation Diffusion in Bulk
La1−xSrxMnO3±δ
(
x=0.0–0.25
) for Solid-Oxide Fuel-Cell Cathodes Physical Review Applied. 8. DOI: 10.1103/Physrevapplied.8.044001 |
0.548 |
|
| 2017 |
Jacobs R, Morgan D, Booske J. Work function and surface stability of tungsten-based thermionic electron emission cathodes Apl Materials. 5: 116105. DOI: 10.1063/1.5006029 |
0.32 |
|
| 2017 |
Ko H, Szlufarska I, Morgan D. Cs diffusion in SiC high-energy grain boundaries Journal of Applied Physics. 122: 105901. DOI: 10.1063/1.4989389 |
0.3 |
|
| 2017 |
Wang X, Zheng M, Szlufarska I, Morgan D. Continuum model for hydrogen pickup in zirconium alloys of LWR fuel cladding Journal of Applied Physics. 121: 135101. DOI: 10.1063/1.4979472 |
0.315 |
|
| 2017 |
Luo G, Yang S, Jenness GR, Song Z, Kuech TF, Morgan D. Understanding and reducing deleterious defects in the metastable alloy GaAsBi Npg Asia Materials. 9: e345-e345. DOI: 10.1038/Am.2016.201 |
0.643 |
|
| 2017 |
Xu S, Jacobs R, Wolverton C, Kuech T, Morgan D. Nanoscale Voltage Enhancement at Cathode Interfaces in Li-Ion Batteries Chemistry of Materials. 29: 1218-1229. DOI: 10.1021/Acs.Chemmater.6B04590 |
0.502 |
|
| 2017 |
Mayeshiba T, Morgan D. Strain effects on oxygen vacancy formation energy in perovskites Solid State Ionics. 311: 105-117. DOI: 10.1016/J.Ssi.2017.09.021 |
0.327 |
|
| 2017 |
Bokas G, Zhao L, Morgan D, Szlufarska I. Increased stability of CuZrAl metallic glasses prepared by physical vapor deposition Journal of Alloys and Compounds. 728: 1110-1115. DOI: 10.1016/J.Jallcom.2017.09.068 |
0.303 |
|
| 2017 |
Mayeshiba T, Wu H, Angsten T, Kaczmarowski A, Song Z, Jenness G, Xie W, Morgan D. The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion Computational Materials Science. 126: 90-102. DOI: 10.1016/J.Commatsci.2016.09.018 |
0.404 |
|
| 2017 |
Ke H, Wells P, Edmondson PD, Almirall N, Barnard L, Odette GR, Morgan D. Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels Acta Materialia. 138: 10-26. DOI: 10.1016/J.Actamat.2017.07.021 |
0.618 |
|
| 2017 |
Mamivand M, Yang Y, Busby J, Morgan D. Integrated modeling of second phase precipitation in cold-worked 316 stainless steels under irradiation Acta Materialia. 130: 94-110. DOI: 10.1016/J.Actamat.2017.03.025 |
0.313 |
|
| 2017 |
Sun C, Song Z, Rath A, Street M, Echtenkamp W, Feng J, Binek C, Morgan D, Voyles P. Local Dielectric Breakdown Path along c
-Axis Planar Boundaries in Cr2
O3
Thin Films Advanced Materials Interfaces. 4: 1700172. DOI: 10.1002/Admi.201700172 |
0.326 |
|
| 2016 |
Aykol M, Kim S, Hegde VI, Snydacker D, Lu Z, Hao S, Kirklin S, Morgan D, Wolverton C. High-throughput computational design of cathode coatings for Li-ion batteries. Nature Communications. 7: 13779. PMID 27966537 DOI: 10.1038/Ncomms13779 |
0.474 |
|
| 2016 |
Jacobs R, Zheng B, Puchala B, Voyles PM, Yankovich AB, Morgan D. Counterintuitive Reconstruction of the Polar O-Terminated ZnO Surface With Zinc Vacancies and Hydrogen. The Journal of Physical Chemistry Letters. PMID 27780360 DOI: 10.1021/Acs.Jpclett.6B02174 |
0.321 |
|
| 2016 |
Wu H, Mayeshiba T, Morgan D. High-throughput ab-initio dilute solute diffusion database. Scientific Data. 3: 160054. PMID 27434308 DOI: 10.1038/Sdata.2016.54 |
0.307 |
|
| 2016 |
Xie W, Lee YL, Shao-Horn Y, Morgan D. Oxygen Point Defect Chemistry in Ruddlesden-Popper Oxides (La1-xSrx)2MO4±δ (M = Co, Ni, Cu). The Journal of Physical Chemistry Letters. PMID 27157124 DOI: 10.1021/Acs.Jpclett.6B00739 |
0.625 |
|
| 2016 |
Feng Z, Hong WT, Fong DD, Lee YL, Yacoby Y, Morgan D, Shao-Horn Y. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions. Accounts of Chemical Research. PMID 27149528 DOI: 10.1021/Acs.Accounts.5B00555 |
0.606 |
|
| 2016 |
Laskar MR, Jackson DH, Guan Y, Xu S, Fang S, Dreibelbis M, Mahanthappa MK, Morgan D, Hamers RJ, Kuech TF. Atomic Layer Deposition of Al2O3-Ga2O3 Alloy Coatings for Li[Ni0.5Mn0.3Co0.2]O2 Cathode to Improve Rate Performance in Li-ion Battery. Acs Applied Materials & Interfaces. PMID 27035035 DOI: 10.1021/Acsami.5B11878 |
0.322 |
|
| 2016 |
Lee YL, Xu S, Morgan D. Correction: Ab initio and empirical defect modeling of LaMnO3±δ for solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics : Pccp. PMID 26908310 DOI: 10.1039/C6Cp90049F |
0.547 |
|
| 2016 |
Li L, Jacobs R, Gao P, Gan L, Wang F, Morgan D, Jin S. Origins of Large Voltage Hysteresis in High Energy-Density Metal Fluoride Lithium-Ion Battery Conversion Electrodes. Journal of the American Chemical Society. PMID 26847657 DOI: 10.1021/Jacs.6B00061 |
0.315 |
|
| 2016 |
Wang F, Seo JH, Luo G, Starr MB, Li Z, Geng D, Yin X, Wang S, Fraser DG, Morgan D, Ma Z, Wang X. Nanometre-thick single-crystalline nanosheets grown at the water-air interface. Nature Communications. 7: 10444. PMID 26786708 DOI: 10.1038/Ncomms10444 |
0.771 |
|
| 2016 |
Lee D, Lee YL, Wang XR, Morgan D, Shao-Horn Y. Enhancement of oxygen surface exchange on epitaxial La0.6Sr0.4Co0.2Fe0.8O3−δ thin films using advanced heterostructured oxide interface engineering Mrs Communications. 1-6. DOI: 10.1557/Mrc.2016.28 |
0.571 |
|
| 2016 |
Xie W, Marianetti CA, Morgan D. Reply to "Comment on `Correlation and relativistic effects in U metal and U-Zr alloy: Validation of ab initio approaches' " Physical Review B. 93: 157101. DOI: 10.1103/Physrevb.93.157101 |
0.397 |
|
| 2016 |
Luo G, Forghani K, Kuech TF, Morgan D. First-principles predictions of electronic properties of GaAs1-x-yPyBix and GaAs1-x-yPyBix-based heterojunctions Applied Physics Letters. 109: 112104. DOI: 10.1063/1.4962729 |
0.636 |
|
| 2016 |
Seo JH, Wu H, Mikael S, Mi H, Blanchard JP, Venkataramanan G, Zhou W, Gong S, Morgan D, Ma Z. Thermal diffusion boron doping of single-crystal natural diamond Journal of Applied Physics. 119. DOI: 10.1063/1.4949327 |
0.314 |
|
| 2016 |
Mayeshiba TT, Morgan DD. Factors controlling oxygen migration barriers in perovskites Solid State Ionics. 296: 71-77. DOI: 10.1016/J.Ssi.2016.09.007 |
0.316 |
|
| 2016 |
Xie W, Chang YA, Morgan D. Ab initio energetics for modeling phase stability of the Np-U system Journal of Nuclear Materials. 479: 260-270. DOI: 10.1016/J.Jnucmat.2016.07.011 |
0.402 |
|
| 2016 |
Briggs SA, Barr CM, Pakarinen J, Mamivand M, Hattar K, Morgan DD, Taheri M, Sridharan K. Observations of defect structure evolution in proton and Ni ion irradiated Ni-Cr binary alloys Journal of Nuclear Materials. 479: 48-58. DOI: 10.1016/J.Jnucmat.2016.06.046 |
0.316 |
|
| 2016 |
Xie W, Marianetti CA, Morgan D. Response to letter Electron correlation and relativity of the 5f electrons in the U-Zr alloy system Journal of Nuclear Materials. 476: 110-112. DOI: 10.1016/J.Jnucmat.2016.04.043 |
0.444 |
|
| 2016 |
Ko H, Deng J, Szlufarska I, Morgan D. Ag diffusion in SiC high-energy grain boundaries: Kinetic Monte Carlo study with first-principle calculations Computational Materials Science. 121: 248-257. DOI: 10.1016/J.Commatsci.2016.04.027 |
0.308 |
|
| 2016 |
Jacobs R, Booske J, Morgan D. Understanding and Controlling the Work Function of Perovskite Oxides Using Density Functional Theory Advanced Functional Materials. 26: 5471-5482. DOI: 10.1002/Adfm.201600243 |
0.324 |
|
| 2015 |
Lee YL, Lee D, Wang XR, Lee HN, Morgan D, Shao-Horn Y. Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden-Popper Phases and Correlations to First-Principles Descriptors. The Journal of Physical Chemistry Letters. PMID 26673011 DOI: 10.1021/Acs.Jpclett.5B02423 |
0.574 |
|
| 2015 |
Kim J, Ilott AJ, Middlemiss DS, Chernova NA, Pinney N, Morgan D, Grey CP. (2)H and (27)Al Solid-State NMR Study of the Local Environments in Al-Doped 2-Line Ferrihydrite, Goethite, and Lepidocrocite. Chemistry of Materials : a Publication of the American Chemical Society. 27: 3966-3978. PMID 26321790 DOI: 10.1021/Acs.Chemmater.5B00856 |
0.776 |
|
| 2015 |
Dervişoğlu R, Middlemiss DS, Blanc F, Lee YL, Morgan D, Grey CP. Joint Experimental and Computational (17)O and (1)H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics. Chemistry of Materials : a Publication of the American Chemical Society. 27: 3861-3873. PMID 26321789 DOI: 10.1021/Acs.Chemmater.5B00328 |
0.78 |
|
| 2015 |
Lee YL, Gadre MJ, Shao-Horn Y, Morgan D. Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO₃ (B = Cr, Mn, Fe, Co and Ni). Physical Chemistry Chemical Physics : Pccp. 17: 21643-63. PMID 26227442 DOI: 10.1039/C5Cp02834E |
0.795 |
|
| 2015 |
Mayeshiba T, Morgan D. Strain effects on oxygen migration in perovskites. Physical Chemistry Chemical Physics : Pccp. 17: 2715-21. PMID 25503536 DOI: 10.1039/C4Cp05554C |
0.304 |
|
| 2015 |
Barr CM, Barnard L, Nathaniel JE, Hattar K, Unocic KA, Szlurfarska I, Morgan D, Taheri ML. Grain boundary character dependence of radiation-induced segregation in a model Ni-Cr alloy Journal of Materials Research. 30: 1290-1299. DOI: 10.1557/Jmr.2015.34 |
0.581 |
|
| 2015 |
Luo G, Yang S, Li J, Arjmand M, Szlufarska I, Brown AS, Kuech TF, Morgan D. First-principles studies on molecular beam epitaxy growth of GaA s1-x B ix Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.035415 |
0.633 |
|
| 2015 |
Lee YL, Morgan D. Ab initio defect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study of LaMn O3 versus SrTi O3 and LaAl O3 Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.195430 |
0.534 |
|
| 2015 |
Kim H, Forghani K, Guan Y, Luo G, Anand A, Morgan D, Kuech TF, Mawst LJ, Lingley ZR, Foran BJ, Sin Y. Strain-compensated GaAs1-yPy/GaAs1-zBiz/GaAs1-yPy quantum wells for laser applications Semiconductor Science and Technology. 30. DOI: 10.1088/0268-1242/30/9/094011 |
0.608 |
|
| 2015 |
Xu S, Jacobs RM, Nguyen HM, Hao S, Mahanthappa M, Wolverton C, Morgan D. Lithium transport through lithium-ion battery cathode coatings Journal of Materials Chemistry A. 3: 17248-17272. DOI: 10.1039/C5Ta01664A |
0.504 |
|
| 2015 |
Lee D, Lee YL, Hong WT, Biegalski MD, Morgan D, Shao-Horn Y. Oxygen surface exchange kinetics and stability of (La,Sr)2CoO4±δ/La1-xSrxMO3-δ (M = Co and Fe) hetero-interfaces at intermediate temperatures Journal of Materials Chemistry A. 3: 2144-2157. DOI: 10.1039/C4Ta05795C |
0.593 |
|
| 2015 |
Dervi?o?lu R, Middlemiss DS, Blanc F, Lee YL, Morgan D, Grey CP. Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics Chemistry of Materials. 27: 3861-3873. DOI: 10.1021/acs.chemmater.5b00328 |
0.462 |
|
| 2015 |
Zheng M, Szlufarska I, Morgan D. Defect kinetics and resistance to amorphization in zirconium carbide Journal of Nuclear Materials. 457: 343-351. DOI: 10.1016/J.Jnucmat.2014.11.059 |
0.309 |
|
| 2015 |
Xu S, Shim SH, Morgan D. Origin of Fe3+ in Fe-containing, Al-free mantle silicate perovskite Earth and Planetary Science Letters. 409: 319-328. DOI: 10.1016/J.Epsl.2014.11.006 |
0.339 |
|
| 2015 |
Lin S, Yeh C, Puchala B, Lee Y, Wu H, Morgan D. Corrigendum to “Ab initio energetics of charge compensating point defects: A case study on MgO” [Comput. Mater. Sci. 73 (2013) 41–55] Computational Materials Science. 109: 104. DOI: 10.1016/J.Commatsci.2015.07.023 |
0.504 |
|
| 2015 |
Kaczmarowski A, Yang S, Szlufarska I, Morgan D. Genetic algorithm optimization of defect clusters in crystalline materials Computational Materials Science. 98: 234-244. DOI: 10.1016/J.Commatsci.2014.10.062 |
0.302 |
|
| 2015 |
Barnard L, Cunningham N, Odette GR, Szlufarska I, Morgan D. Thermodynamic and kinetic modeling of oxide precipitation in nanostructured ferritic alloys Acta Materialia. 91: 340-354. DOI: 10.1016/J.Actamat.2015.03.014 |
0.614 |
|
| 2014 |
Feng Z, Yacoby Y, Gadre MJ, Lee YL, Hong WT, Zhou H, Biegalski MD, Christen HM, Adler SB, Morgan D, Shao-Horn Y. Anomalous Interface and Surface Strontium Segregation in (La1-ySry)2CoO4±δ/La1-xSrxCoO3-δ Heterostructured Thin Films. The Journal of Physical Chemistry Letters. 5: 1027-34. PMID 26270983 DOI: 10.1021/Jz500293D |
0.8 |
|
| 2014 |
Choudhury S, Morgan D, Uberuaga BP. Massive interfacial reconstruction at misfit dislocations in metal/oxide interfaces. Scientific Reports. 4: 6533. PMID 25322758 DOI: 10.1038/Srep06533 |
0.333 |
|
| 2014 |
Lee JH, Luo G, Tung IC, Chang SH, Luo Z, Malshe M, Gadre M, Bhattacharya A, Nakhmanson SM, Eastman JA, Hong H, Jellinek J, Morgan D, Fong DD, Freeland JW. Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy. Nature Materials. 13: 879-83. PMID 25087067 DOI: 10.1038/Nmat4039 |
0.777 |
|
| 2014 |
Dervi?o?lu R, Middlemiss DS, Blanc F, Holmes LA, Lee YL, Morgan D, Grey CP. Joint experimental and computational 17O solid state NMR study of Brownmillerite Ba2In2O5. Physical Chemistry Chemical Physics : Pccp. 16: 2597-606. PMID 24382459 DOI: 10.1039/C3Cp53642D |
0.557 |
|
| 2014 |
Xiong W, Ke H, Krishnamurthy R, Wells P, Barnard L, Odette GR, Morgan D. Thermodynamic models of low-temperature Mn-Ni-Si precipitation in reactor pressure vessel steels Mrs Communications. DOI: 10.1557/Mrc.2014.21 |
0.616 |
|
| 2014 |
Angsten T, Mayeshiba T, Wu H, Morgan D. Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures New Journal of Physics. 16: 015018. DOI: 10.1088/1367-2630/16/1/015018 |
0.355 |
|
| 2014 |
Forghani K, Guan Y, Losurdo M, Luo G, Morgan D, Babcock SE, Brown AS, Mawst LJ, Kuech TF. GaAs1-y-zPyBiz, an alternative reduced band gap alloy system lattice-matched to GaAs Applied Physics Letters. 105. DOI: 10.1063/1.4895116 |
0.637 |
|
| 2014 |
Lee D, Lee YL, Grimaud A, Hong WT, Biegalski MD, Morgan D, Shao-Horn Y. Strontium influence on the oxygen electrocatalysis of La 2-xSrxNiO4±δ (0.0 ≤ x Sr ≤ 1.0) thin films Journal of Materials Chemistry A. 2: 6480-6487. DOI: 10.1039/C3Ta14918H |
0.576 |
|
| 2014 |
Feng Z, Yacoby Y, Gadre MJ, Lee YL, Hong WT, Zhou H, Biegalski MD, Christen HM, Adler SB, Morgan D, Shao-Horn Y. Anomalous interface and surface strontium segregation in (La 1-ySry)2CoO4±δ/La 1-xSrxCoO3-δ heterostructured thin films Journal of Physical Chemistry Letters. 5: 1027-1034. DOI: 10.1021/jz500293d |
0.769 |
|
| 2014 |
Jacobs RM, Booske JH, Morgan D. Electron emission energy barriers and stability of Sc2O 3 with adsorbed Ba and Ba-O Journal of Physical Chemistry C. 118: 19742-19758. DOI: 10.1021/Jp503320R |
0.318 |
|
| 2014 |
Lee D, Lee YL, Grimaud A, Hong WT, Biegalski MD, Morgan D, Shao-Horn Y. Enhanced oxygen surface exchange kinetics and stability on epitaxial La0.8Sr0.2CoO3-δ thin films by La 0.8Sr0.2MnO3-δ decoration Journal of Physical Chemistry C. 118: 14326-14334. DOI: 10.1021/Jp502192M |
0.587 |
|
| 2014 |
Xiong W, Xie W, Morgan D. Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods Journal of Nuclear Materials. 452: 569-577. DOI: 10.1016/J.Jnucmat.2014.06.023 |
0.471 |
|
| 2014 |
Nam HO, Bengtson A, Vörtler K, Saha S, Sakidja R, Morgan D. First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute Journal of Nuclear Materials. 449: 148-157. DOI: 10.1016/J.Jnucmat.2014.03.014 |
0.778 |
|
| 2014 |
Jamison L, Zheng M, Shannon S, Allen T, Morgan D, Szlufarska I. Experimental and ab initio study of enhanced resistance to amorphization of nanocrystalline silicon carbide under electron irradiation Journal of Nuclear Materials. 445: 181-189. DOI: 10.1016/J.Jnucmat.2013.11.010 |
0.3 |
|
| 2014 |
Barnard L, Morgan D. Ab initio molecular dynamics simulation of interstitial diffusion in Ni-Cr alloys and implications for radiation induced segregation Journal of Nuclear Materials. 449: 225-233. DOI: 10.1016/J.Jnucmat.2013.10.022 |
0.596 |
|
| 2014 |
Bengtson A, Nam HO, Saha S, Sakidja R, Morgan D. First-principles molecular dynamics modeling of the LiCl-KCl molten salt system Computational Materials Science. 83: 362-370. DOI: 10.1016/J.Commatsci.2013.10.043 |
0.782 |
|
| 2014 |
Jiang C, Morgan D, Szlufarska I. Structures and stabilities of small carbon interstitial clusters in cubic silicon carbide Acta Materialia. 62: 162-172. DOI: 10.1016/J.Actamat.2013.09.044 |
0.302 |
|
| 2013 |
Hong WT, Gadre M, Lee YL, Biegalski MD, Christen HM, Morgan D, Shao-Horn Y. Tuning the Spin State in LaCoO3 Thin Films for Enhanced High-Temperature Oxygen Electrocatalysis. The Journal of Physical Chemistry Letters. 4: 2493-2499. PMID 28803480 DOI: 10.1021/Jz401271M |
0.792 |
|
| 2013 |
Kumar A, Leonard D, Jesse S, Ciucci F, Eliseev EA, Morozovska AN, Biegalski MD, Christen HM, Tselev A, Mutoro E, Crumlin EJ, Morgan D, Shao-Horn Y, Borisevich A, Kalinin SV. Spatially resolved mapping of oxygen reduction/evolution reaction on solid-oxide fuel cell cathodes with sub-10 nm resolution. Acs Nano. 7: 3808-14. PMID 23565822 DOI: 10.1021/Nn303239E |
0.323 |
|
| 2013 |
Puchala B, Lee Y, Morgan D. A-Site Diffusion in La1 −xSrxMnO3: Ab Initio and Kinetic Monte Carlo Calculations Journal of the Electrochemical Society. 160: F877-F882. DOI: 10.1149/2.077308Jes |
0.535 |
|
| 2013 |
Xie W, Xiong W, Marianetti CA, Morgan D. Correlation and relativistic effects in U metal and U-Zr alloy: Validation of ab initio approaches Physical Review B. 88: 235128. DOI: 10.1103/Physrevb.88.235128 |
0.397 |
|
| 2013 |
Bengtson A, Morgan D, Becker U. Spin state of iron in Fe3O4magnetite andh-Fe3O4 Physical Review B. 87. DOI: 10.1103/Physrevb.87.155141 |
0.741 |
|
| 2013 |
Hong WT, Gadre M, Lee YL, Biegalski MD, Christen HM, Morgan D, Shao-Horn Y. Tuning the spin state in LaCoO3 thin films for enhanced high-temperature oxygen electrocatalysis Journal of Physical Chemistry Letters. 4: 2493-2499. DOI: 10.1021/jz401271m |
0.794 |
|
| 2013 |
Xiong W, Xie W, Shen C, Morgan D. Thermodynamic modeling of the U–Zr system – A revisit Journal of Nuclear Materials. 443: 331-341. DOI: 10.1016/J.Jnucmat.2013.07.034 |
0.47 |
|
| 2013 |
Pinney N, Morgan D. Thermodynamics of Al-substitution in Fe-oxyhydroxides Geochimica Et Cosmochimica Acta. 120: 514-530. DOI: 10.1016/J.Gca.2013.05.045 |
0.788 |
|
| 2013 |
Pinney N, Morgan D. Ab initio study of structurally bound water at cation vacancy sites in Fe- and Al-oxyhydroxide materials Geochimica Et Cosmochimica Acta. 114: 94-111. DOI: 10.1016/J.Gca.2013.03.032 |
0.795 |
|
| 2013 |
Saha S, Bengtson A, Morgan D. Effect of anomalous compressibility on Fe diffusion in ferropericlase throughout the spin crossover in the lower mantle Earth and Planetary Science Letters. 362: 1-5. DOI: 10.1016/J.Epsl.2012.11.032 |
0.759 |
|
| 2013 |
Lin S, Yeh C, Puchala B, Lee Y, Morgan D. Ab initio energetics of charge compensating point defects: A case study on MgO Computational Materials Science. 73: 41-55. DOI: 10.1016/J.Commatsci.2013.02.005 |
0.546 |
|
| 2012 |
Gilbert JA, Kariuki NN, Subbaraman R, Kropf AJ, Smith MC, Holby EF, Morgan D, Myers DJ. In situ anomalous small-angle X-ray scattering studies of platinum nanoparticle fuel cell electrocatalyst degradation. Journal of the American Chemical Society. 134: 14823-33. PMID 22857132 DOI: 10.1021/Ja3038257 |
0.695 |
|
| 2012 |
Gadre MJ, Lee YL, Morgan D. Cation interdiffusion model for enhanced oxygen kinetics at oxide heterostructure interfaces. Physical Chemistry Chemical Physics : Pccp. 14: 2606-16. PMID 22270079 DOI: 10.1039/C2Cp23033J |
0.803 |
|
| 2012 |
Lee YL, Morgan D. Ab initio and empirical defect modeling of LaMnO(3±δ) for solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics : Pccp. 14: 290-302. PMID 22083091 DOI: 10.1039/C1Cp22380A |
0.573 |
|
| 2012 |
Holby EF, Morgan D. Application of Pt nanoparticle dissolution and oxidation modeling to understanding degradation in PEM fuel cells Journal of the Electrochemical Society. 159. DOI: 10.1149/2.011204Jes |
0.694 |
|
| 2012 |
Jacobsen H, Puchala B, Kuech TF, Morgan D. Ab initio study of the strain dependent thermodynamics of Bi doping in GaAs Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.085207 |
0.344 |
|
| 2012 |
Jacobs RM, Booske JH, Morgan D. Intrinsic defects and conduction characteristics of Sc 2O 3 in thermionic cathode systems Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.054106 |
0.32 |
|
| 2012 |
Crumlin EJ, Mutoro E, Liu Z, Grass ME, Biegalski MD, Lee YL, Morgan D, Christen HM, Bluhm H, Shao-Horn Y. Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells Energy and Environmental Science. 5: 6081-6088. DOI: 10.1039/C2Ee03397F |
0.571 |
|
| 2012 |
Holby EF, Greeley J, Morgan D. Thermodynamics and hysteresis of oxide formation and removal on platinum (111) surfaces Journal of Physical Chemistry C. 116: 9942-9946. DOI: 10.1021/Jp210805Z |
0.714 |
|
| 2012 |
Barnard L, Tucker JD, Choudhury S, Allen TR, Morgan D. Modeling radiation induced segregation in Ni-Cr model alloys from first principles Journal of Nuclear Materials. 425: 8-15. DOI: 10.1016/J.Jnucmat.2011.08.022 |
0.685 |
|
| 2012 |
Crispin KL, Saha S, Morgan D, Orman JAV. Diffusion of transition metals in periclase by experiment and first-principles, with implications for core-mantle equilibration during metal percolation Earth and Planetary Science Letters. 357: 42-53. DOI: 10.1016/J.Epsl.2012.09.023 |
0.311 |
|
| 2012 |
Curtarolo S, Setyawan W, Hart GLW, Jahnatek M, Chepulskii RV, Taylor RH, Wang S, Xue J, Yang K, Levy O, Mehl MJ, Stokes HT, Demchenko DO, Morgan D. AFLOW: An automatic framework for high-throughput materials discovery Computational Materials Science. 58: 218-226. DOI: 10.1016/J.Commatsci.2012.02.005 |
0.517 |
|
| 2012 |
Barnard L, Odette GR, Szlufarska I, Morgan D. An ab initio study of Ti-Y-O nanocluster energetics in nanostructured ferritic alloys Transactions of the American Nuclear Society. 107: 147-148. DOI: 10.1016/J.Actamat.2011.11.011 |
0.641 |
|
| 2012 |
Yu C, Holby EF, Yang R, Toney MF, Morgan D, Strasser P. Growth Trajectories and Coarsening Mechanisms of Metal Nanoparticle Electrocatalysts Chemcatchem. 4: 766-770. DOI: 10.1002/Cctc.201200090 |
0.698 |
|
| 2011 |
Saha S, Bengtson A, Crispin KL, Orman JAV, Morgan D. Effects of spin transition on diffusion of Fe 2+ in ferropericlase in Earth's lower mantle Physical Review B. 84: 184102. DOI: 10.1103/Physrevb.84.184102 |
0.767 |
|
| 2011 |
Lee Y, Kleis J, Rossmeisl J, Shao-Horn Y, Morgan D. Prediction of solid oxide fuel cell cathode activity with first-principles descriptors Energy & Environmental Science. 4: 3966. DOI: 10.1039/C1Ee02032C |
0.565 |
|
| 2011 |
Donner W, Chen C, Liu M, Jacobson AJ, Lee YL, Gadre M, Morgan D. Epitaxial strain-induced chemical ordering in la0.5Sr 0.5CoO3-δ Films on SrTiO3 Chemistry of Materials. 23: 984-988. DOI: 10.1021/Cm102657V |
0.781 |
|
| 2011 |
Was GS, Wharry JP, Frisbie B, Wirth BD, Morgan D, Tucker JD, Allen TR. Assessment of radiation-induced segregation mechanisms in austenitic and ferritic-martensitic alloys Journal of Nuclear Materials. 411: 41-50. DOI: 10.1016/J.Jnucmat.2011.01.031 |
0.551 |
|
| 2011 |
Choudhury S, Barnard L, Tucker JD, Allen TR, Wirth BD, Asta M, Morgan D. Ab-initio based modeling of diffusion in dilute bcc Fe-Ni and Fe-Cr alloys and implications for radiation induced segregation Journal of Nuclear Materials. 411: 1-14. DOI: 10.1016/J.Jnucmat.2010.12.231 |
0.747 |
|
| 2011 |
Shrader D, Khalil SM, Gerczak T, Allen TR, Heim AJ, Szlufarska I, Morgan D. Ag diffusion in cubic silicon carbide Journal of Nuclear Materials. 408: 257-271. DOI: 10.1016/J.Jnucmat.2010.10.088 |
0.312 |
|
| 2011 |
Sharma A, Zhang C, Chang YA, Knoeppel R, Morgan D. Ab initio and thermodynamic modelling of alloying effects on activity of sacrificial aluminium anodes Corrosion Science. 53: 1724-1731. DOI: 10.1016/J.Corsci.2011.01.046 |
0.333 |
|
| 2010 |
Vlahos V, Booske JH, Morgan D. Ab initio investigation of barium-scandium-oxygen coatings on tungsten for electron emitting cathodes Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.054207 |
0.36 |
|
| 2010 |
Kim S, Szlufarska I, Morgan D. Ab initio study of point defect structures and energetics in ZrC Journal of Applied Physics. 107: 53521. DOI: 10.1063/1.3309765 |
0.35 |
|
| 2010 |
Bengtson AK, Bark CW, Giencke J, Dai W, Xi X, Eom CB, Morgan D. Impact of substitutional and interstitial carbon defects on lattice parameters in MgB2 Journal of Applied Physics. 107. DOI: 10.1063/1.3275867 |
0.746 |
|
| 2010 |
Arroyo y de Dompablo ME, Lee Y, Morgan D. First Principles Investigation of Oxygen Vacancies in Columbite MNb2O6(M = Mn, Fe, Co, Ni, Cu)† Chemistry of Materials. 22: 906-913. DOI: 10.1021/Cm901723J |
0.583 |
|
| 2010 |
Tucker JD, Najafabadi R, Allen TR, Morgan D. Ab initio-based diffusion theory and tracer diffusion in Ni-Cr and Ni-Fe alloys Journal of Nuclear Materials. 405: 216-234. DOI: 10.1016/J.Jnucmat.2010.08.003 |
0.554 |
|
| 2010 |
Yang Y, Zhang C, Chen S, Morgan D, Chang YA. First-principles calculation aided thermodynamic modeling of the Mo–Re system Intermetallics. 18: 574-581. DOI: 10.1016/J.Intermet.2009.10.012 |
0.338 |
|
| 2009 |
Shim SH, Bengtson A, Morgan D, Sturhahn W, Catalli K, Zhao J, Lerche M, Prakapenka V. Electronic and magnetic structures of the postperovskite-type Fe2O3 and implications for planetary magnetic records and deep interiors. Proceedings of the National Academy of Sciences of the United States of America. 106: 5508-12. PMID 19279204 DOI: 10.1073/Pnas.0808549106 |
0.771 |
|
| 2009 |
Lee Y, Kleis J, Rossmeisl J, Morgan D. Ab initioenergetics ofLaBO3(001)(B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes Physical Review B. 80. DOI: 10.1103/Physrevb.80.224101 |
0.589 |
|
| 2009 |
Kang K, Morgan D, Ceder G. First principles study of Li diffusion in I-Li2 NiO2 structure Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.014305 |
0.688 |
|
| 2009 |
Vlahos V, Lee YL, Booske JH, Morgan D, Turek L, Kirshner M, Kowalczyk R, Wilsen C. Ab initio investigation of the surface properties of dispenser B-type and scandate thermionic emission cathodes Applied Physics Letters. 94. DOI: 10.1063/1.3129193 |
0.542 |
|
| 2009 |
Holby EF, Sheng W, Shao-Horn Y, Morgan D. Pt nanoparticle stability in PEM fuel cells: Influence of particle size distribution and crossover hydrogen Energy and Environmental Science. 2: 865-871. DOI: 10.1039/B821622N |
0.681 |
|
| 2009 |
Bengtson A, Li J, Morgan D. Mössbauer modeling to interpret the spin state of iron in (Mg,Fe)SiO3perovskite Geophysical Research Letters. 36: n/a-n/a. DOI: 10.1029/2009Gl038340 |
0.765 |
|
| 2009 |
Pinney N, Kubicki JD, Middlemiss DS, Grey CP, Morgan D. Density functional theory study of ferrihydrite and related Fe-oxyhydroxides Chemistry of Materials. 21: 5727-5742. DOI: 10.1021/Cm9023875 |
0.798 |
|
| 2009 |
Zhang C, Zhu J, Morgan D, Yang Y, Zhang F, Cao WS, Chang YA. Thermodynamic modeling of the Cr–Ir binary system using the cluster/site approximation (CSA) coupling with first-principles energetic calculation Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 33: 420-424. DOI: 10.1016/J.Calphad.2008.12.009 |
0.321 |
|
| 2009 |
Zhu J, Zhang C, Cao W, Yang Y, Zhang F, Chen S, Morgan D, Chang Y. Experimental investigation and thermodynamic modeling of the Ni–Al–Ru ternary system Acta Materialia. 57: 202-212. DOI: 10.1016/J.Actamat.2008.09.007 |
0.317 |
|
| 2008 |
Van Der Ven A, Thomas JC, Xu Q, Swoboda B, Morgan D. Nondilute diffusion from first principles: Li diffusion in Lix TiS2 Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.104306 |
0.554 |
|
| 2008 |
Yang JJ, Bengtson AK, Ji CX, Morgan D, Chang YA. Origin of the dependence of magnetoresistance on the composition of Co100-x Fex electrodes in magnetic tunnel junctions Journal of Applied Physics. 103. DOI: 10.1063/1.2840128 |
0.762 |
|
| 2008 |
Bengtson A, Persson K, Morgan D. Ab initio study of the composition dependence of the pressure-induced spin crossover in perovskite (Mg1 − x,Fex)SiO3 Earth and Planetary Science Letters. 265: 535-545. DOI: 10.1016/J.Epsl.2007.10.049 |
0.766 |
|
| 2008 |
Zhang C, Zhu J, Bengtson A, Morgan D, Zhang F, Yang Y, Chang YA. Thermodynamic modeling of the Cr–Pt binary system using the cluster/site approximation coupling with first-principles energetics calculation Acta Materialia. 56: 5796-5803. DOI: 10.1016/J.Actamat.2008.07.057 |
0.76 |
|
| 2008 |
Zhang C, Zhu J, Bengtson A, Morgan D, Zhang F, Cao W-, Chang YA. Modeling of phase stability of the fcc phases in the Ni–Ir–Al system using the cluster/site approximation method coupling with first-principles calculations Acta Materialia. 56: 2576-2584. DOI: 10.1016/J.Actamat.2008.01.056 |
0.767 |
|
| 2008 |
Joshua Yang J, Bengtson AK, Ji CX, Morgan D, Chang YA. Crystal structure effect of ferromagnetic electrode on tunneling magnetoresistance Acta Materialia. 56: 1491-1495. DOI: 10.1016/J.Actamat.2007.11.045 |
0.761 |
|
| 2007 |
Shao-Horn Y, Sheng WC, Chen S, Ferreira PJ, Holby EF, Morgan D. Instability of supported platinum nanoparticles in low-temperature fuel cells Topics in Catalysis. 46: 285-305. DOI: 10.1007/S11244-007-9000-0 |
0.672 |
|
| 2006 |
Fischer CC, Tibbetts KJ, Morgan D, Ceder G. Predicting crystal structure by merging data mining with quantum mechanics. Nature Materials. 5: 641-6. PMID 16845417 DOI: 10.1038/Nmat1691 |
0.584 |
|
| 2006 |
Grigoryan G, Zhou F, Lustig SR, Ceder G, Morgan D, Keating AE. Ultra-fast evaluation of protein energies directly from sequence Plos Computational Biology. 2: 0551-0563. PMID 16789811 DOI: 10.1371/Journal.Pcbi.0020063 |
0.573 |
|
| 2006 |
Lee Y, Morgan D. Ab Initio Study of Oxygen-Vacancy Ordering in Oxygen Conducting Ba2In2O5 Mrs Proceedings. 972. DOI: 10.1557/Proc-0972-Aa04-06 |
0.562 |
|
| 2006 |
Ceder G, Morgan D, Fischer C, Tibbetts K, Curtarolo S. Data-mining-driven quantum mechanics for the prediction of structure Mrs Bulletin. 31: 981-985. DOI: 10.1557/Mrs2006.224 |
0.681 |
|
| 2006 |
Van Der Ven A, Morgan D, Meng YS, Ceder G. Phase stability of nickel hydroxides and oxyhydroxides Journal of the Electrochemical Society. 153: A210-A215. DOI: 10.1149/1.2138572 |
0.709 |
|
| 2006 |
Persson K, Ceder G, Morgan D. Spin transitions in the Fex Mn1-x S2 system Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.115201 |
0.609 |
|
| 2006 |
Persson K, Bengtson A, Ceder G, Morgan D. Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1-x,Fex)O system Geophysical Research Letters. 33. DOI: 10.1029/2006Gl026621 |
0.782 |
|
| 2006 |
Levi E, Lancry E, Mitelman A, Aurbach D, Ceder G, Morgan D, Isnard O. Phase diagram of Mg insertion into chevrel phases, Mg xMo 6T 8 (T = S, Se). 1. Crystal structure of the sulfides Chemistry of Materials. 18: 5492-5503. DOI: 10.1021/Cm061656F |
0.597 |
|
| 2005 |
Zhou F, Grigoryan G, Lustig SR, Keating AE, Ceder G, Morgan D. Coarse-graining protein energetics in sequence variables Physical Review Letters. 95. PMID 16241695 DOI: 10.1103/Physrevlett.95.148103 |
0.576 |
|
| 2005 |
Morgan D, Ceder G, Curtarolo S. High-throughput and data mining with ab initio methods Measurement Science and Technology. 16: 296-301. DOI: 10.1088/0957-0233/16/1/039 |
0.705 |
|
| 2005 |
Wagemaker M, Van Der Ven A, Morgan D, Ceder G, Mulder FM, Kearley GJ. Thermodynamics of spinel LixTiO2 from first principles Chemical Physics. 317: 130-136. DOI: 10.1016/J.Chemphys.2005.05.011 |
0.705 |
|
| 2005 |
Curtarolo S, Morgan D, Ceder G. Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 29: 163-211. DOI: 10.1016/J.Calphad.2005.01.002 |
0.704 |
|
| 2004 |
Morgan D, Van der Ven A, Ceder G. Li Conductivity in LixMPO4 (M = Mn, Fe, Co, Ni) Olivine Materials Electrochemical and Solid-State Letters. 7: A30-A32. DOI: 10.1149/1.1633511 |
0.695 |
|
| 2004 |
Zhou F, Cococcioni M, Marianetti CA, Morgan D, Ceder G. First-principles prediction of redox potentials in transition-metal compounds with LDA + U Physical Review B - Condensed Matter and Materials Physics. 70: 1-8. DOI: 10.1103/Physrevb.70.235121 |
0.605 |
|
| 2004 |
Zhou F, Marianetti CA, Cococcioni M, Morgan D, Ceder G. Phase separation in LixFePO4 induced by correlation effects Physical Review B - Condensed Matter and Materials Physics. 69. DOI: 10.1103/Physrevb.69.201101 |
0.616 |
|
| 2004 |
Zhou F, Kang K, Maxisch T, Ceder G, Morgan D. The electronic structure and band gap of LiFePO4 and LiMnPO4 Solid State Communications. 132: 181-186. DOI: 10.1016/J.Ssc.2004.07.055 |
0.691 |
|
| 2004 |
Han BC, Van Der Ven A, Morgan D, Ceder G. Electrochemical modeling of intercalation processes with phase field models Electrochimica Acta. 49: 4691-4699. DOI: 10.1016/J.Electacta.2004.05.024 |
0.758 |
|
| 2003 |
Curtarolo S, Morgan D, Persson K, Rodgers J, Ceder G. Predicting crystal structures with data mining of quantum calculations. Physical Review Letters. 91: 135503. PMID 14525315 DOI: 10.1103/Physrevlett.91.135503 |
0.692 |
|
| 2003 |
Morgan D, Ceder G, Curtarolo S. Data Mining Approach to Ab-Initio Prediction of Crystal Structure Mrs Proceedings. 804. DOI: 10.1557/Proc-804-Jj9.25 |
0.703 |
|
| 2003 |
Morgan D, Wang B, Ceder G, van de Walle A. First-principles study of magnetism in spinelMnO2 Physical Review B. 67. DOI: 10.1103/Physrevb.67.134404 |
0.608 |
|
| 2003 |
Morgan D, Rodgers J, Ceder G. Automatic construction, implementation and assessment of Pettifor maps Journal of Physics: Condensed Matter. 15: 4361-4369. DOI: 10.1088/0953-8984/15/25/307 |
0.567 |
|
| 2003 |
Morgan D, Ceder G, Saı̈di MY, Barker J, Swoyer J, Huang H, Adamson G. Experimental and computational study of the structure and electrochemical properties of monoclinic LixM2(PO4)3 compounds Journal of Power Sources. 119: 755-759. DOI: 10.1016/S0378-7753(03)00216-7 |
0.605 |
|
| 2003 |
Balachandran D, Morgan D, Ceder G, Van De Walle A. First-principles study of the structure of stoichiometric and Mn-deficient MnO2 Journal of Solid State Chemistry. 173: 462-475. DOI: 10.1016/S0022-4596(03)00023-9 |
0.74 |
|
| 2002 |
Morgan D, Balachandran D, Ceder G, van de Walle A. A Drastic Influence of Point Defects on Phase Stability in MnO2 Mrs Proceedings. 755. DOI: 10.1557/Proc-755-Dd2.8 |
0.606 |
|
| 2002 |
Smithson H, Marianetti CA, Morgan D, Van der Ven A, Predith A, Ceder G. First-principles study of the stability and electronic structure of metal hydrides Physical Review B. 66. DOI: 10.1103/Physrevb.66.144107 |
0.579 |
|
| 2002 |
Balachandran D, Morgan D, Ceder G. First Principles Study of H-insertion in MnO2 Journal of Solid State Chemistry. 166: 91-103. DOI: 10.1006/Jssc.2002.9564 |
0.614 |
|
| 2001 |
Marianetti CA, Morgan D, Ceder G. First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions Physical Review B. 63. DOI: 10.1103/Physrevb.63.224304 |
0.576 |
|
| 2000 |
Kohan AF, Ceder G, Morgan D, Van de Walle CG. First-principles study of native point defects in ZnO Physical Review B. 61: 15019-15027. DOI: 10.1103/Physrevb.61.15019 |
0.609 |
|
| 2000 |
Ceder G, Van Der Ven A, Marianetti C, Morgan D. First-principles alloy theory in oxides Modelling and Simulation in Materials Science and Engineering. 8: 311-321. DOI: 10.1088/0965-0393/8/3/311 |
0.66 |
|
| 2000 |
Morgan D, Van De Walle A, Ceder G, Althoff JD, De Fontaine D. Vibrational thermodynamics: coupling of chemical order and size effects Modelling and Simulation in Materials Science and Engineering. 8: 295-309. DOI: 10.1088/0965-0393/8/3/310 |
0.711 |
|
| 2000 |
Van Der Ven A, Marianetti C, Morgan D, Ceder G. Phase transformations and volume changes in spinel LixMn2O4 Solid State Ionics. 135: 21-32. DOI: 10.1016/S0167-2738(00)00326-X |
0.705 |
|
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