| Year |
Citation |
Score |
| 2023 |
Elnagar MM, Liessem J, Im C, Mitoraj D, Kibler LA, Neumann C, Turchanin A, Leiter R, Kaiser U, Jacob T, Krivtsov I, Beranek R. Water-soluble ionic carbon nitride as unconventional stabilizer for highly catalytically active ultrafine gold nanoparticles. Nanoscale. PMID 37990869 DOI: 10.1039/d3nr03375a |
0.773 |
|
| 2023 |
Kirchhoff B, Jung C, Gaissmaier D, Braunwarth L, Fantauzzi D, Jacob T. characterization of nanoparticles. Physical Chemistry Chemical Physics : Pccp. PMID 37161752 DOI: 10.1039/d3cp01073b |
0.784 |
|
| 2023 |
Bord J, Kirchhoff B, Baldofski M, Jung C, Jacob T. An Atomistic View of Platinum Cluster Growth on Pristine and Defective Graphene Supports. Small (Weinheim An Der Bergstrasse, Germany). e2207484. PMID 36650999 DOI: 10.1002/smll.202207484 |
0.769 |
|
| 2022 |
Kang S, Im C, Spanos I, Ham K, Lim A, Jacob T, Schlögl R, Lee J. Durable Nickel-Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts through Surface Functionalization with Tetraphenylporphyrin. Angewandte Chemie (International Ed. in English). e202214541. PMID 36274053 DOI: 10.1002/anie.202214541 |
0.772 |
|
| 2022 |
Mitoraj D, Krivtsov I, Li C, Rajagopal A, Im C, Adler C, Köble K, Khainakova O, Hniopek J, Neumann C, Turchanin A, da Silva I, Schmitt M, Leiter R, Lehnert T, ... ... Jacob T, et al. Corrigendum: A Study in Red: The Overlooked Role of Azo-Moieties in Polymeric Carbon Nitride Photocatalysts with Strongly Extended Optical Absorption. Chemistry (Weinheim An Der Bergstrasse, Germany). e202202535. PMID 36047979 DOI: 10.1002/chem.202202535 |
0.746 |
|
| 2021 |
Mitoraj D, Krivtsov I, Li C, Rajagopal A, Im C, Adler C, Köble K, Khainakova O, Hniopek J, Neumann C, Turchanin A, da Silva I, Schmitt M, Leiter R, Lehnert T, ... ... Jacob T, et al. A Study in Red: The Overlooked Role of Azo-Moieties in Polymeric Carbon Nitride Photocatalysts with Strongly Extended Optical Absorption. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34585790 DOI: 10.1002/chem.202102945 |
0.761 |
|
| 2021 |
Kirchhoff B, Ivanov A, Skúlason E, Jacob T, Fantauzzi D, Jónsson H. Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene. Journal of Chemical Theory and Computation. PMID 34550689 DOI: 10.1021/acs.jctc.1c00377 |
0.772 |
|
| 2021 |
Kirchhoff B, Jónsson EÖ, Dohn AO, Jacob T, Jónsson H. Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations. Journal of Chemical Theory and Computation. PMID 34460258 DOI: 10.1021/acs.jctc.1c00522 |
0.749 |
|
| 2020 |
Lv X, Wei W, Wang H, Li F, Huang B, Dai Y, Jacob T. Nitrogen-free TMS4-centers in metal–organic frameworks for ammonia synthesis Journal of Materials Chemistry. DOI: 10.1039/D0Ta06949C |
0.325 |
|
| 2020 |
Hermann JM, Abdelrahman A, Jacob T, Kibler LA. Potential-dependent reconstruction kinetics probed by HER on Au(111) electrodes Electrochimica Acta. 347: 136287. DOI: 10.1016/J.Electacta.2020.136287 |
0.345 |
|
| 2020 |
Esau D, Schuett FM, Varvaris KL, Björk J, Jacob T, Jerkiewicz G. Controlled-Atmosphere Flame Fusion Growth of Nickel Poly-oriented Spherical Single Crystals-Unraveling Decades of Impossibility Electrocatalysis. 11: 1-13. DOI: 10.1007/S12678-019-00575-W |
0.328 |
|
| 2020 |
Braunwarth L, Jung C, Jacob T. Exploring the Structure–Activity Relationship on Platinum Nanoparticles Topics in Catalysis. 1-11. DOI: 10.1007/S11244-020-01324-W |
0.418 |
|
| 2020 |
Kirchhoff B, Braunwarth L, Jung C, Jónsson H, Fantauzzi D, Jacob T. Cuboctahedral Platinum Nanoparticles: Simulations of the Oxidation and Degradation of Platinum Electrocatalysts (Small 5/2020) Small. 16: 2070027. DOI: 10.1002/Smll.202070027 |
0.771 |
|
| 2020 |
Jung CK, Stottmeister D, Jacob T. Properties and Structural Arrangements of the Electrode Material CuDEPP during Energy Storage Energy Technology. 8: 2000388. DOI: 10.1002/Ente.202000388 |
0.302 |
|
| 2019 |
Kirchhoff B, Braunwarth L, Jung C, Jónsson H, Fantauzzi D, Jacob T. Simulations of the Oxidation and Degradation of Platinum Electrocatalysts. Small (Weinheim An Der Bergstrasse, Germany). e1905159. PMID 31880069 DOI: 10.1002/Smll.201905159 |
0.799 |
|
| 2019 |
Gaissmaier D, van den Borg M, Fantauzzi D, Jacob T. Microscopic properties of sodium and lithium - A first principle study of metal battery anode materials. Chemsuschem. PMID 31804761 DOI: 10.1002/Cssc.201902860 |
0.355 |
|
| 2019 |
Amthor S, Braun H, Gröne J, Nauroozi D, Jacob T, Rau S. Tailored protective groups for surface immobilization of ruthenium dyes. Dalton Transactions (Cambridge, England : 2003). PMID 31728474 DOI: 10.1039/C9Dt03591E |
0.35 |
|
| 2019 |
Krivtsov I, Mitoraj D, Adler C, Ilkaeva M, Sardo M, Mafra L, Neumann C, Turchanin A, Li C, Dietzek B, Leiter R, Biskupek J, Kaiser U, Im C, Kirchhoff B, ... Jacob T, et al. Water-soluble polymeric carbon nitride colloidal nanoparticles for highly selective quasi-homogeneous photocatalysis. Angewandte Chemie (International Ed. in English). PMID 31659848 DOI: 10.1002/Anie.201913331 |
0.743 |
|
| 2019 |
Jung CK, Braunwarth L, Jacob T. Grand Canonical ReaxFF Molecular Dynamics Simulations for Catalytic Reactions. Journal of Chemical Theory and Computation. PMID 31508954 DOI: 10.1021/Acs.Jctc.9B00687 |
0.36 |
|
| 2019 |
Abdelrahman A, Hermann JM, Jacob T, Kibler LA. Adsorption of Acetate on Au(111): An in-situ STM Study and Implications on Formic Acid Electrooxidation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31369687 DOI: 10.1002/Cphc.201900560 |
0.328 |
|
| 2019 |
Galal A, Hassan HK, Atta NF, Abdel-Mageed AM, Jacob T. Synthesis, structural and morphological characterizations of nano-Ru-based perovskites/RGO composites. Scientific Reports. 9: 7948. PMID 31138882 DOI: 10.1038/S41598-019-43726-1 |
0.357 |
|
| 2019 |
Gaissmaier D, Fantauzzi D, Jacob T. First principles studies of self-diffusion processes on metallic lithium surfaces. The Journal of Chemical Physics. 150: 041723. PMID 30709312 DOI: 10.1063/1.5056226 |
0.364 |
|
| 2019 |
Gili A, Schlicker L, Bekheet MF, Görke O, Kober D, Simon U, Littlewood P, Schomäcker R, Doran A, Gaissmaier D, Jacob T, Selve S, Gurlo A. Revealing the Mechanism of Multiwalled Carbon Nanotube Growth on Supported Nickel Nanoparticles by in Situ Synchrotron X-ray Diffraction, Density Functional Theory, and Molecular Dynamics Simulations Acs Catalysis. 9: 6999-7011. DOI: 10.1021/Acscatal.9B00733 |
0.376 |
|
| 2019 |
Lv X, Wei W, Zhao P, Er D, Huang B, Dai Y, Jacob T. Oxygen-terminated BiXenes and derived single atom catalysts for the hydrogen evolution reaction Journal of Catalysis. 378: 97-103. DOI: 10.1016/J.Jcat.2019.08.019 |
0.39 |
|
| 2018 |
Galal A, Hassan HK, Atta NF, Jacob T. Energy and cost-efficient nano-Ru-based perovskites/RGO composites for application in high performance supercapacitors. Journal of Colloid and Interface Science. 538: 578-586. PMID 30553090 DOI: 10.1016/J.Jcis.2018.12.018 |
0.347 |
|
| 2018 |
Pajkossy T, Müller C, Jacob T. The metal-ionic liquid interface as characterized by impedance spectroscopy and in situ scanning tunneling microscopy. Physical Chemistry Chemical Physics : Pccp. 20: 21241-21250. PMID 30101247 DOI: 10.1039/C8Cp02074D |
0.305 |
|
| 2018 |
Cai L, Yu X, Liu M, Sun Q, Bao M, Zha Z, Pan J, Ma H, Ju H, Hu S, Xu L, Zou J, Yuan C, Jacob T, Björk J, et al. Direct Formation of C-C Double-Bonded Structural Motifs by On-Surface Dehalogenative Homocouplings of gem-Dibromomethyl Molecules. Acs Nano. PMID 30016072 DOI: 10.1021/Acsnano.8B02459 |
0.345 |
|
| 2018 |
Hermann JM, Mattausch Y, Weiss A, Jacob T, Kibler LA. Enhanced Electrocatalytic Oxidation of Formic Acid on Au(111) in the Presence of Pyridine Journal of the Electrochemical Society. 165. DOI: 10.1149/2.0251815Jes |
0.313 |
|
| 2018 |
Dave M, Rajagopal A, Damm-Ruttensperger M, Schwarz B, Nägele F, Daccache L, Fantauzzi D, Jacob T, Streb C. Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts Sustainable Energy & Fuels. 2: 1020-1026. DOI: 10.1039/C7Se00599G |
0.313 |
|
| 2018 |
Galal A, Hassan HK, Atta NF, Jacob T. Effect of Redox Electrolyte on the Specific Capacitance of SrRuO3–Reduced Graphene Oxide Nanocomposites Journal of Physical Chemistry C. 122: 11641-11650. DOI: 10.1021/Acs.Jpcc.8B02068 |
0.338 |
|
| 2018 |
Kibler LA, Hermann JM, Abdelrahman A, El-Aziz AA, Jacob T. New insights on hydrogen evolution at Au single crystal electrodes Current Opinion in Electrochemistry. 9: 265-270. DOI: 10.1016/J.Coelec.2018.05.013 |
0.357 |
|
| 2018 |
Müller H, Metzler M, Barth N, Conings B, Boyen H, Jacob T, Kibler LA. Electrocatalytic Behavior of Pd and Pt Nanoislands Deposited onto 4,4′-Dithiodipyridine SAMs on Au(111) Electrocatalysis. 9: 505-513. DOI: 10.1007/S12678-018-0467-1 |
0.377 |
|
| 2017 |
Alonso-Vante N, Luo Y, Kirchhoff B, Fantauzzi D, Calvillo L, Estudillo-Wong LA, Granozzi G, Jacob T. Molybdenum-doping augments platinum-copper oxygen reduction electrocatalyst. Chemsuschem. PMID 29112796 DOI: 10.1002/Cssc.201701822 |
0.793 |
|
| 2017 |
Anjass M, Kastner K, Naegele F, Ringenberg M, Boas J, Zhang J, Bond A, Jacob T, Streb C. Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster. Angewandte Chemie (International Ed. in English). PMID 28906058 DOI: 10.1002/Anie.201706828 |
0.325 |
|
| 2017 |
Schoenweiz S, Heiland M, Anjass M, Jacob T, Rau S, Streb C. Experimental and Theoretical Investigation into the Light-Driven Hydrogen Evolution by Polyoxometalate-Photosensitizer Dyads. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28763122 DOI: 10.1002/Chem.201702116 |
0.338 |
|
| 2017 |
Daccache L, Zeller S, Jacob T. Capturing Irradiation with Nano-antennae: Plasmon-induced Enhancement of Photoelectrolysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28371165 DOI: 10.1002/Cphc.201700249 |
0.329 |
|
| 2017 |
Fantauzzi D, Krick Calderón S, Mueller JE, Grabau M, Papp C, Steinrück HP, Senftle TP, van Duin AC, Jacob T. Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures. Angewandte Chemie (International Ed. in English). PMID 28120368 DOI: 10.1002/Anie.201609317 |
0.626 |
|
| 2017 |
Hassan HK, Atta NF, Hamed MM, Galal A, Jacob T. Ruthenium nanoparticles-modified reduced graphene prepared by a green method for high-performance supercapacitor application in neutral electrolyte Rsc Advances. 7: 11286-11296. DOI: 10.1039/C6Ra27415C |
0.343 |
|
| 2017 |
Wang L, Mitoraj D, Turner S, Khavryuchenko OV, Jacob T, Hocking RK, Beranek R. Ultrasmall CoO(OH)x nanoparticles as a highly efficient “true” cocatalyst in porous photoanodes for water splitting Acs Catalysis. 7: 4759-4767. DOI: 10.1021/Acscatal.7B01466 |
0.336 |
|
| 2017 |
Heider EA, Jacob T, Kibler LA. Platinum overlayers on PtxRu1−x(111) electrodes: Tailoring the ORR activity by lateral strain and ligand effects Journal of Electroanalytical Chemistry. 819: 289-295. DOI: 10.1016/J.Jelechem.2017.10.063 |
0.392 |
|
| 2017 |
Farkas A, Fantauzzi D, Mueller JE, Zhu T, Papp C, Steinrück H, Jacob T. On the platinum-oxide formation under gas-phase and electrochemical conditions Journal of Electron Spectroscopy and Related Phenomena. 221: 44-57. DOI: 10.1016/J.Elspec.2017.06.005 |
0.415 |
|
| 2017 |
Liu SP, Zhao M, Gao W, Jacob T, Jiang Q. Nature of the electrochemical HClO4/Pt(111) interface Applied Surface Science. 400: 426-433. DOI: 10.1016/J.Apsusc.2016.12.191 |
0.338 |
|
| 2017 |
Liu SP, Zhao M, Gao W, Jiang Q, Jacob T. Theoretical Studies on the CO2 Reduction to CH3OH on Cu(211) Electrocatalysis. 8: 647-656. DOI: 10.1007/S12678-017-0403-9 |
0.325 |
|
| 2017 |
Kibler LA, Soliman KA, Plumer A, Wildi CS, Bringley E, Mueller JE, Jacob T. Electrodeposition of Ag Overlayers onto Pt(111): Structural, Electrochemical and Electrocatalytic Properties Electrocatalysis. 8: 605-615. DOI: 10.1007/S12678-017-0386-6 |
0.312 |
|
| 2017 |
Herrmann S, Aydemir N, Nägele F, Fantauzzi D, Jacob T, Travas-Sejdic J, Streb C. Enhanced Capacitive Energy Storage in Polyoxometalate-Doped Polypyrrole Advanced Functional Materials. 27: 1700881. DOI: 10.1002/Adfm.201700881 |
0.328 |
|
| 2016 |
Exner KS, Anton J, Jacob T, Over H. Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2 (110) Model Electrode. Angewandte Chemie (International Ed. in English). PMID 27168427 DOI: 10.1002/Anie.201511804 |
0.348 |
|
| 2016 |
Schwarz B, Forster J, Goetz MK, Yücel D, Berger C, Jacob T, Streb C. Visible-Light-Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster. Angewandte Chemie (International Ed. in English). PMID 27062440 DOI: 10.1002/Anie.201601799 |
0.343 |
|
| 2016 |
Dai Y, Eggers B, Metzler M, Künzel D, Groß A, Jacob T, Ziener U. Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111). Physical Chemistry Chemical Physics : Pccp. PMID 26871757 DOI: 10.1039/C5Cp07853A |
0.338 |
|
| 2016 |
Berger CA, Arkhipova M, Farkas A, Maas G, Jacob T. Titanium deposition from ionic liquids - appropriate choice of electrolyte and precursor. Physical Chemistry Chemical Physics : Pccp. PMID 26807860 DOI: 10.1039/C5Cp07152F |
0.332 |
|
| 2016 |
Plöger J, Mueller JE, Jacob T, Anton J. Theoretical Studies on the Adsorption of 1-Butyl-3-methyl-imidazolium-hexafluorophosphate (BMI/PF 6) on Au(100) Surfaces Topics in Catalysis. 59: 792-801. DOI: 10.1007/S11244-016-0552-8 |
0.332 |
|
| 2016 |
Schwarz B, Forster J, Goetz MK, Yücel D, Berger C, Jacob T, Streb C. Back Cover: Visible-Light-Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster (Angew. Chem. Int. Ed. 21/2016) Angewandte Chemie International Edition. 55: 6344-6344. DOI: 10.1002/Anie.201603203 |
0.3 |
|
| 2015 |
Müller C, Németh K, Vesztergom S, Pajkossy T, Jacob T. The interface between HOPG and 1-butyl-3-methyl-imidazolium hexafluorophosphate. Physical Chemistry Chemical Physics : Pccp. PMID 26647859 DOI: 10.1039/C5Cp05406K |
0.334 |
|
| 2015 |
Fantauzzi D, Mueller JE, Sabo L, van Duin AC, Jacob T. Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26251047 DOI: 10.1002/Cphc.201500527 |
0.653 |
|
| 2015 |
Popa C, Zhu T, Tranca I, Kaghazchi P, Jacob T, Hensen EJ. Structure of palladium nanoparticles under oxidative conditions. Physical Chemistry Chemical Physics : Pccp. 17: 2268-73. PMID 25486336 DOI: 10.1039/C4Cp01761G |
0.362 |
|
| 2015 |
Wei W, Dai Y, Huang B, Li X, Nägele F, Over H, Whangbo MH, Jacob T. Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2(110) Heterostructures Journal of Physical Chemistry C. 119: 12394-12399. DOI: 10.1021/Acs.Jpcc.5B01884 |
0.364 |
|
| 2015 |
Al-Shakran M, Kibler LA, Jacob T. Homoepitaxial electrodeposition on reconstructed and unreconstructed Au(100): An in-situ STM study Surface Science. 631: 130-134. DOI: 10.1016/J.Susc.2014.08.001 |
0.336 |
|
| 2015 |
Müller C, Vesztergom S, Pajkossy T, Jacob T. The interface between Au(1 0 0) and 1-butyl-3-methyl-imidazolium-bis(trifluoromethylsulfonyl)imide Journal of Electroanalytical Chemistry. 737: 218-225. DOI: 10.1016/J.Jelechem.2014.06.010 |
0.324 |
|
| 2015 |
Al-Shakran M, Kibler LA, Jacob T, Beltramo GL, Giesen M. Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte Electrochimica Acta. 180: 427-434. DOI: 10.1016/J.Electacta.2015.08.084 |
0.344 |
|
| 2015 |
Metzler M, Thorwart A, Zeller S, Diemant T, Behm RJ, Jacob T. Electroless deposition of Au/Pt/Pd nanoparticles on p-Si(1 1 1) for the light-induced hydrogen evolution reaction Catalysis Today. 244: 3-9. DOI: 10.1016/J.Cattod.2014.10.026 |
0.351 |
|
| 2015 |
Sheasha Y, Soliman KA, Sun SG, Jacob T, Kibler LA. Electrochemical Fabrication of Well-Defined Spherical Iridium Nanoparticles and Electrocatalytic Activity towards Carbon Monoxide Adlayer Oxidation Electrocatalysis. 6: 365-372. DOI: 10.1007/S12678-015-0252-3 |
0.365 |
|
| 2015 |
Exner KS, Anton J, Jacob T, Over H. Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110): a Mechanistic Ab Initio Atomistic Thermodynamics Study Electrocatalysis. 6: 163-172. DOI: 10.1007/S12678-014-0220-3 |
0.351 |
|
| 2015 |
Fantauzzi D, Zhu T, Mueller JE, Filot IAW, Hensen EJM, Jacob T. Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface Catalysis Letters. 145: 451-457. DOI: 10.1007/S10562-014-1448-5 |
0.311 |
|
| 2014 |
Fantauzzi D, Bandlow J, Sabo L, Mueller JE, van Duin AC, Jacob T. Development of a ReaxFF potential for Pt-O systems describing the energetics and dynamics of Pt-oxide formation. Physical Chemistry Chemical Physics : Pccp. 16: 23118-33. PMID 25250822 DOI: 10.1039/C4Cp03111C |
0.665 |
|
| 2014 |
Soliman KA, Kolb DM, Kibler LA, Jacob T. Restructuring of an Ir(210) electrode surface by potential cycling. Beilstein Journal of Nanotechnology. 5: 1349-56. PMID 25247118 DOI: 10.3762/Bjnano.5.148 |
0.358 |
|
| 2014 |
Exner KS, Anton J, Jacob T, Over H. Controlling selectivity in the chlorine evolution reaction over RuO₂-based catalysts. Angewandte Chemie (International Ed. in English). 53: 11032-5. PMID 25154724 DOI: 10.1002/Anie.201406112 |
0.379 |
|
| 2014 |
Gao W, Song EH, Jiang Q, Jacob T. Revealing the active intermediates in the oxidation of formic acid on Au and Pt(111). Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 11005-12. PMID 25056192 DOI: 10.1002/Chem.201402737 |
0.403 |
|
| 2014 |
Mueller JE, Krtil P, Kibler LA, Jacob T. Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis. Physical Chemistry Chemical Physics : Pccp. 16: 15029-42. PMID 24950709 DOI: 10.1039/C4Cp01591F |
0.322 |
|
| 2014 |
Wang H, Chen W, Bartynski RA, Kaghazchi P, Jacob T. Nitrogen-induced reconstruction and faceting of Re(112̅1). The Journal of Chemical Physics. 140: 024707. PMID 24437902 DOI: 10.1063/1.4861046 |
0.344 |
|
| 2014 |
Völker E, Williams FJ, Jacob T, Schiffrin DJ. ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys Journal of Alloys and Compounds. 586: 475-478. DOI: 10.1016/J.Jallcom.2013.10.119 |
0.322 |
|
| 2014 |
Dai Y, Metzler M, Jacob T, Kolb DM, Ziener U. Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111) Electrochimica Acta. 137: 416-422. DOI: 10.1016/J.Electacta.2014.06.046 |
0.317 |
|
| 2014 |
Exner KS, Anton J, Jacob T, Over H. Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams Electrochimica Acta. 120: 460-466. DOI: 10.1016/J.Electacta.2013.11.027 |
0.382 |
|
| 2014 |
Harms C, Adam M, Soliman KA, Wilhelm M, Kibler LA, Jacob T, Grathwohl G. New Electrocatalysts with Pyrolyzed Siloxane Matrix Electrocatalysis. 5: 301-309. DOI: 10.1007/S12678-014-0190-5 |
0.387 |
|
| 2014 |
Kaghazchi P, Jacob T, Yang X, Junno G, Wang H, Chen W, Koel BE, Bartynski RA. Theoretical study of carbon adsorption on Re surfaces: Morphological instability Catalysis Letters. 144: 1667-1673. DOI: 10.1007/S10562-014-1324-3 |
0.331 |
|
| 2013 |
Gao W, Mueller JE, Anton J, Jiang Q, Jacob T. Nickel cluster growth on defect sites of graphene: a computational study. Angewandte Chemie (International Ed. in English). 52: 14237-41. PMID 24214849 DOI: 10.1002/Anie.201305001 |
0.358 |
|
| 2013 |
Wei W, Dai Y, Huang B, Jacob T. Enhanced many-body effects in 2- and 1-dimensional ZnO structures: a Green's function perturbation theory study. The Journal of Chemical Physics. 139: 144703. PMID 24116637 DOI: 10.1063/1.4824078 |
0.3 |
|
| 2013 |
Busó-Rogero C, Herrero E, Bandlow J, Comas-Vives A, Jacob T. CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment. Physical Chemistry Chemical Physics : Pccp. 15: 18671-7. PMID 24072258 DOI: 10.1039/C3Cp53282H |
0.406 |
|
| 2013 |
Hoffmannová H, Okube M, Petrykin V, Krtil P, Mueller JE, Jacob T. Surface stability of Pt3Ni nanoparticulate alloy electrocatalysts in hydrogen adsorption. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 9046-50. PMID 23815640 DOI: 10.1021/La401562T |
0.397 |
|
| 2013 |
Kaghazchi P, Jacob T, Chen W, Bartynski RA. Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces. Physical Chemistry Chemical Physics : Pccp. 15: 12815-20. PMID 23802224 DOI: 10.1039/C3Cp51769A |
0.308 |
|
| 2013 |
Zhu T, Hensen EJ, van Santen RA, Tian N, Sun SG, Kaghazchi P, Jacob T. Roughening of Pt nanoparticles induced by surface-oxide formation. Physical Chemistry Chemical Physics : Pccp. 15: 2268-72. PMID 23303314 DOI: 10.1039/C2Cp44252C |
0.418 |
|
| 2013 |
Comas-Vives A, Bandlow J, Jacob T. Ab initio study of the electrochemical H2SO4/Pt(111) interface. Physical Chemistry Chemical Physics : Pccp. 15: 992-7. PMID 23211836 DOI: 10.1039/C2Cp43054A |
0.334 |
|
| 2013 |
Mesgar M, Kaghazchi P, Jacob T, Pichardo-Pedrero E, Giesen M, Pichardo-Pedrero E, Giesen M, Ibach H, Luque NB, Schmickler W. Chlorine-enhanced surface mobility of Au(100). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 233-6. PMID 23081947 DOI: 10.1002/Cphc.201200621 |
0.356 |
|
| 2012 |
Kaghazchi P, Jacob T. Roughening of hcp metal surfaces induced by nitrogen adsorption. Physical Chemistry Chemical Physics : Pccp. 14: 13903-6. PMID 22990609 DOI: 10.1039/C2Cp42014G |
0.352 |
|
| 2012 |
Gao W, Mueller JE, Jiang Q, Jacob T. The role of co-adsorbed CO and OH in the electrooxidation of formic acid on Pt(111). Angewandte Chemie (International Ed. in English). 51: 9448-52. PMID 22907932 DOI: 10.1002/Anie.201203078 |
0.386 |
|
| 2012 |
Chen W, Bartynski RA, Kaghazchi P, Jacob T. Oxidation of CO by NO on planar and faceted Ir(210). The Journal of Chemical Physics. 136: 224701. PMID 22713063 DOI: 10.1063/1.4723811 |
0.325 |
|
| 2012 |
Kaghazchi P, Jacob T, Ermanoski I, Chen W, Madey TE. New surfaces stabilized by adsorbate-induced faceting. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 265003. PMID 22692088 DOI: 10.1088/0953-8984/24/26/265003 |
0.352 |
|
| 2012 |
Gao W, Mueller JE, Jiang Q, Jacob T. Die Rolle von koadsorbiertem CO und OH bei der Elektrooxidation von Ameisensäure auf Pt(111) Angewandte Chemie. 124: 9584-9589. DOI: 10.1002/Ange.201203078 |
0.31 |
|
| 2011 |
Favry E, Wang D, Fantauzzi D, Anton J, Su DS, Jacob T, Alonso-Vante N. Synthesis, electrochemical characterization and molecular dynamics studies of surface segregation of platinum nano-alloy electrocatalysts. Physical Chemistry Chemical Physics : Pccp. 13: 9201-8. PMID 21465052 DOI: 10.1039/C0Cp02384A |
0.397 |
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| 2011 |
Shaw SK, Berná A, Feliu JM, Nichols RJ, Jacob T, Schiffrin DJ. Role of axially coordinated surface sites for electrochemically controlled carbon monoxide adsorption on single crystal copper electrodes. Physical Chemistry Chemical Physics : Pccp. 13: 5242-51. PMID 21253640 DOI: 10.1039/C0Cp02064H |
0.336 |
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| 2011 |
Kleiner K, Comas-Vives A, Naderian M, Mueller JE, Fantauzzi D, Mesgar M, Keith JA, Anton J, Jacob T. Multiscale modeling of Au-island ripening on Au(100) Advances in Physical Chemistry. 2011. DOI: 10.1155/2011/252591 |
0.738 |
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| 2011 |
Bandlow J, Kaghazchi P, Jacob T, Papp C, Tränkenschuh B, Streber R, Lorenz MPA, Fuhrmann T, Denecke R, Steinrück HP. Oxidation of stepped Pt(111) studied by x-ray photoelectron spectroscopy and density functional theory Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.174107 |
0.359 |
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| 2011 |
Kaghazchi P, Jacob T. Structure of rhenium surfaces in an oxygen environment Physical Review B. 83: 35417. DOI: 10.1103/Physrevb.83.035417 |
0.309 |
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| 2011 |
Mertens SFL, Gara M, Sologubenko AS, Mayer J, Szidat S, Krämer KW, Jacob T, Schiffrin DJ, Wandlowski T. Gold-Mercury Nanoalloys: Au@Hg Nanoalloy Formation Through Direct Amalgamation: Structural, Spectroscopic, and Computational Evidence for Slow Nanoscale Diffusion (Adv. Funct. Mater. 17/2011) Advanced Functional Materials. 21: 3202-3202. DOI: 10.1002/Adfm.201190069 |
0.315 |
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| 2011 |
Mertens SFL, Gara M, Sologubenko AS, Mayer J, Szidat S, Krämer KW, Jacob T, Schiffrin DJ, Wandlowski T. Au@Hg nanoalloy formation through direct amalgamation: Structural, spectroscopic, and computational evidence for slow nanoscale diffusion Advanced Functional Materials. 21: 3259-3267. DOI: 10.1002/Adfm.201100409 |
0.38 |
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| 2010 |
Gao W, Keith JA, Anton J, Jacob T. Theoretical elucidation of the competitive electro-oxidation mechanisms of formic acid on Pt(111). Journal of the American Chemical Society. 132: 18377-85. PMID 21117692 DOI: 10.1021/Ja1083317 |
0.753 |
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| 2010 |
Keith JA, Jacob T. Theoretical studies of potential-dependent and competing mechanisms of the electrocatalytic oxygen reduction reaction on Pt(111). Angewandte Chemie (International Ed. in English). 49: 9521-5. PMID 21038401 DOI: 10.1002/Anie.201004794 |
0.738 |
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| 2010 |
Keith JA, Jacob T. Atomic-level elucidation of the initial stages of self-assembled monolayer metallization and nanoparticle formation. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 12381-6. PMID 20845415 DOI: 10.1002/Chem.201001396 |
0.733 |
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| 2010 |
Keith JA, Jerkiewicz G, Jacob T. Theoretical investigations of the oxygen reduction reaction on Pt(111). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 2779-94. PMID 20726030 DOI: 10.1002/Cphc.201000286 |
0.747 |
|
| 2010 |
Gao W, Keith JA, Anton J, Jacob T. Oxidation of formic acid on the Pt(111) surface in the gas phase. Dalton Transactions (Cambridge, England : 2003). 39: 8450-6. PMID 20714626 DOI: 10.1039/C0Dt00404A |
0.751 |
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| 2010 |
Chen W, Shen Q, Bartynski RA, Kaghazchi P, Jacob T. Reduction of NO by CO on unsupported Ir: bridging the materials gap. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 2515-20. PMID 20635373 DOI: 10.1002/Cphc.201000254 |
0.334 |
|
| 2010 |
Kaghazchi P, Fantauzzi D, Anton J, Jacob T. Nanoscale-faceting of metal surfaces induced by adsorbates. Physical Chemistry Chemical Physics : Pccp. 12: 8669-84. PMID 20552118 DOI: 10.1039/C000766H |
0.382 |
|
| 2010 |
Pötting K, Schmickler W, Jacob T. Self-diffusion on Au(100): a density functional theory study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 1395-404. PMID 20029886 DOI: 10.1002/Cphc.200900807 |
0.345 |
|
| 2010 |
Keith JA, Fantauzzi D, Jacob T, Van Duin ACT. Reactive forcefield for simulating gold surfaces and nanoparticles Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.235404 |
0.742 |
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| 2010 |
Kaghazchi P, Jacob T. Oxygen-induced reconstruction of Re(10(1)over-bar0) studied by density functional theory Physical Review B. 81: 75431. DOI: 10.1103/Physrevb.81.075431 |
0.374 |
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| 2010 |
Joshi K, Duin ACTv, Jacob T. Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces Journal of Materials Chemistry. 20: 10431-10437. DOI: 10.1039/C0Jm01556C |
0.356 |
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| 2010 |
Keith JA, Jacob T. Theoretical studies of Pd metal deposition on the √3 × √3 4-mercaptopyridine self-assembled monolayer Electrochimica Acta. 55: 8258-8262. DOI: 10.1016/J.Electacta.2010.04.027 |
0.718 |
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| 2010 |
Keith JA, Jacob T. Theoretische Untersuchungen zu potentialabhängigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111) Angewandte Chemie. 122: 9711-9716. DOI: 10.1002/Ange.201004794 |
0.717 |
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| 2009 |
Venkatachalam S, Jacob T. Hydrogen adsorption on Pd-containing Au(111) bimetallic surfaces. Physical Chemistry Chemical Physics : Pccp. 11: 3263-70. PMID 19370223 DOI: 10.1039/B900250B |
0.309 |
|
| 2009 |
Kaghazchi P, Jacob T, Wang H, Chen W, Madey TE. First-principles studies on adsorbate-induced faceting of Re (11 2̄ 1) Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.132107 |
0.41 |
|
| 2009 |
Jacob T. Electrochemical surface faceting of Re(112¯1) Electrochimica Acta. 54: 5023-5029. DOI: 10.1016/J.Electacta.2009.03.033 |
0.364 |
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| 2008 |
Lu JY, Keith JA, Shen WZ, Schürmann M, Preut H, Jacob T, Arndt HD. Regioselective de novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism. Journal of the American Chemical Society. 130: 13219-21. PMID 18783223 DOI: 10.1021/Ja804078V |
0.699 |
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| 2008 |
Sanz-Navarro CF, Astrand PO, Chen D, Rønning M, van Duin AC, Jacob T, Goddard WA. Molecular dynamics simulations of the interactions between platinum clusters and carbon platelets. The Journal of Physical Chemistry. A. 112: 1392-402. PMID 18217729 DOI: 10.1021/Jp074806Y |
0.69 |
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| 2008 |
Piskunov S, Heifets E, Jacob T, Kotomin EA, Ellis DE, Spohr E. Electronic structure and thermodynamic stability of LaMnO 3 and La 1-x Sr x MnO 3 (001) surfaces: Ab initio calculations Physical Review B. 78: 121406. DOI: 10.1103/Physrevb.78.121406 |
0.342 |
|
| 2008 |
Simeone FC, Kolb DM, Venkatachalam S, Jacob T. Tunneling behavior of electrified interfaces Surface Science. 602: 1401-1407. DOI: 10.1016/J.Susc.2008.01.034 |
0.305 |
|
| 2006 |
Jacob T, Goddard WA. Water formation on Pt and Pt-based alloys: a theoretical description of a catalytic reaction. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 992-1005. PMID 16596695 DOI: 10.1002/Cphc.200500613 |
0.579 |
|
| 2006 |
Chen W, Ermanoski I, Jacob T, Madey TE. Structure sensitivity in the oxidation of CO on Ir surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 3166-73. PMID 16548573 DOI: 10.1021/La053183H |
0.386 |
|
| 2005 |
Jacob T, Goddard WA. Chemisorption of (CHx and C2Hy) hydrocarbons on Pt(111) clusters and surfaces from DFT studies. The Journal of Physical Chemistry. B. 109: 297-311. PMID 16851016 DOI: 10.1021/Jp0463868 |
0.48 |
|
| 2004 |
Jacob T, Goddard WA. Agostic interactions and dissociation in the first layer of water on Pt(111). Journal of the American Chemical Society. 126: 9360-8. PMID 15281827 DOI: 10.1021/Ja049920Y |
0.511 |
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| 2003 |
Martin D, Jacob T, Stietz F, Fricke B, Träger F. Site-selective, resonant photochemical desorption of metal atoms with laser light: Manipulation of metal surfaces on the atomic scale Surface Science. 526: L151-L157. DOI: 10.1016/S0039-6028(02)02652-3 |
0.431 |
|
| 2002 |
Anton J, Jacob T, Fricke B, Engel E. Relativistic density functional calculations for Pt2. Physical Review Letters. 89: 213001. PMID 12443406 DOI: 10.1103/Physrevlett.89.213001 |
0.458 |
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| 2002 |
Jacob T, Fritzsche S, Sepp WD, Fricke B, Anton J. Cluster size convergent full relativistic density-functional calculations of single atom adsorption Physics Letters, Section a: General, Atomic and Solid State Physics. 300: 71-75. DOI: 10.1016/S0375-9601(02)00788-0 |
0.464 |
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| 2001 |
Jacob T, Geschke D, Fritzsche S, Sepp WD, Fricke B, Anton J, Varga S. Adsorption on surfaces simulated by an embedded cluster approach within the relativistic density functional theory Surface Science. 486: 194-202. DOI: 10.1016/S0039-6028(01)01046-9 |
0.474 |
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