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Thomas Patrick Senftle - Publications

Affiliations: 
Chemical Engineering Pennsylvania State University, State College, PA, United States 
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23/49 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Wang J, Liu C, Senftle TP, Zhu J, Zhang G, Guo X, Song C. Variation in the In2O3 Crystal Phase Alters Catalytic Performance toward the Reverse Water Gas Shift Reaction Acs Catalysis. 10: 3264-3273. DOI: 10.1021/Acscatal.9B04239  0.348
2018 Lessio M, Senftle TP, Carter EA. Hydride Shuttle Formation and Reaction with CO2 on GaP(110). Chemsuschem. PMID 29624905 DOI: 10.1002/Cssc.201800037  0.519
2018 O’Connor NJ, Jonayat ASM, Janik MJ, Senftle TP. Interaction trends between single metal atoms and oxide supports identified with density functional theory and statistical learning Nature Catalysis. 1: 531-539. DOI: 10.1038/s41929-018-0094-5  0.481
2018 Sai Gautam G, Senftle TP, Alidoust N, Carter EA. Novel Solar Cell Materials: Insights from First-Principles The Journal of Physical Chemistry C. 122: 27107-27126. DOI: 10.1021/Acs.Jpcc.8B08185  0.433
2018 Sai Gautam G, Senftle TP, Carter EA. Understanding the Effects of Cd and Ag Doping in Cu2ZnSnS4 Solar Cells Chemistry of Materials. 30: 4543-4555. DOI: 10.1021/Acs.Chemmater.8B00677  0.43
2017 Senftle TP, Lessio M, Carter EA. The Role of Surface-Bound Dihydropyridine Analogues in Pyridine-Catalyzed CO2 Reduction over Semiconductor Photoelectrodes. Acs Central Science. 3: 968-974. PMID 28979938 DOI: 10.1021/Acscentsci.7B00233  0.524
2017 Senftle TP, Carter EA. The Holy Grail: Chemistry Enabling an Economically Viable CO2 Capture, Utilization, and Storage Strategy. Accounts of Chemical Research. 50: 472-475. PMID 28945424 DOI: 10.1021/Acs.Accounts.6B00479  0.424
2017 Senftle TP, Carter EA. Theoretical Determination of Band Edge Alignments at the Water-CuInS2(112) Semiconductor Interface. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28544847 DOI: 10.1021/Acs.Langmuir.7B00668  0.489
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  0.384
2016 Senftle TP, Hong S, Islam MM, Kylasa SB, Zheng Y, Shin YK, Junkermeier C, Engel-Herbert R, Janik MJ, Aktulga HM, Verstraelen T, Grama A, van Duin ACT. The ReaxFF reactive force-field: development, applications and future directions Npj Computational Materials. 2. DOI: 10.1038/npjcompumats.2015.11  0.423
2016 Lessio M, Senftle TP, Carter EA. Is the Surface Playing a Role during Pyridine-Catalyzed CO2 Reduction on p-GaP Photoelectrodes? Acs Energy Letters. 1: 464-468. DOI: 10.1021/Acsenergylett.6B00233  0.513
2016 Senftle TP, van Duin ACT, Janik MJ. Methane Activation at the Pd/CeO2 Interface Acs Catalysis. 7: 327-332. DOI: 10.1021/Acscatal.6B02447  0.626
2016 Senftle TP, Lessio M, Carter EA. Interaction of Pyridine and Water with the Reconstructed Surfaces of GaP(111) and CdTe(111) Photoelectrodes: Implications for CO2 Reduction Chemistry of Materials. 28: 5799-5810. DOI: 10.1021/Acs.Chemmater.6B02084  0.523
2015 Strayer ME, Senftle TP, Winterstein JP, Vargas-Barbosa NM, Sharma R, Rioux RM, Janik MJ, Mallouk TE. Charge transfer stabilization of late transition metal oxide nanoparticles on a layered niobate support. Journal of the American Chemical Society. PMID 26651875 DOI: 10.1021/Jacs.5B11230  0.535
2015 Senftle TP, Van Duin ACT, Janik MJ. Role of Site Stability in Methane Activation on PdxCe1-xOδ Surfaces Acs Catalysis. 5: 6187-6199. DOI: 10.1021/Acscatal.5B00741  0.631
2015 Tavazza F, Senftle TP, Zou C, Becker CA, Van Duin ACT. Molecular dynamics investigation of the effects of tip-substrate interactions during nanoindentation Journal of Physical Chemistry C. 119: 13580-13589. DOI: 10.1021/Acs.Jpcc.5B01275  0.375
2014 Spanjers CS, Senftle TP, van Duin AC, Janik MJ, Frenkel AI, Rioux RM. Illuminating surface atoms in nanoclusters by differential X-ray absorption spectroscopy. Physical Chemistry Chemical Physics : Pccp. 16: 26528-38. PMID 25054561 DOI: 10.1039/C4Cp02146K  0.595
2014 Addou R, Senftle TP, O'Connor N, Janik MJ, van Duin AC, Batzill M. Influence of hydroxyls on Pd atom mobility and clustering on rutile TiO(2)(011)-2 × 1. Acs Nano. 8: 6321-33. PMID 24806092 DOI: 10.1021/Nn501817W  0.626
2014 Senftle TP, Janik MJ, Van Duin ACT. A ReaxFF investigation of hydride formation in palladium nanoclusters via Monte Carlo and molecular dynamics simulations Journal of Physical Chemistry C. 118: 4967-4981. DOI: 10.1021/Jp411015A  0.589
2014 Senftle TP, Van Duin ACT, Janik MJ. Determining in situ phases of a nanoparticle catalyst via grand canonical Monte Carlo simulations with the ReaxFF potential Catalysis Communications. 52: 72-77. DOI: 10.1016/J.Catcom.2013.12.001  0.572
2013 Senftle TP, Meyer RJ, Janik MJ, van Duin AC. Development of a ReaxFF potential for Pd∕O and application to palladium oxide formation. The Journal of Chemical Physics. 139: 044109. PMID 23901962 DOI: 10.1063/1.4815820  0.642
2013 Senftle TP, Meyer RJ, Janik MJ, Van Duin ACT. Development of a ReaxFF potential for Pd/O and application to palladium oxide formation Journal of Chemical Physics. 139. DOI: 10.1063/1.4815820  0.544
2011 Senftle TP, Mayernick A, Van Duin A, Janik M. Computational characterization of Pd/Ceria catalysts using DFT+U and ReaxFF 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings.  0.412
Low-probability matches (unlikely to be authored by this person)
2021 Wang P, Senftle TP. Theoretical insights into non-oxidative propane dehydrogenation over FeC. Physical Chemistry Chemical Physics : Pccp. PMID 33393543 DOI: 10.1039/d0cp04669h  0.297
2011 Hudgens JW, Pettibone JM, Senftle TP, Bratton RN. Reaction mechanism governing formation of 1,3-bis(diphenylphosphino)propane-protected gold nanoclusters. Inorganic Chemistry. 50: 10178-89. PMID 21928777 DOI: 10.1021/Ic2018506  0.292
2021 Long M, Donoso J, Bhati M, Elias WC, Heck KN, Luo YH, Lai YS, Gu H, Senftle TP, Zhou C, Wong MS, Rittmann BE. Adsorption and Reductive Defluorination of Perfluorooctanoic Acid over Palladium Nanoparticles. Environmental Science & Technology. PMID 34496574 DOI: 10.1021/acs.est.1c03134  0.287
2019 Clark CA, Reddy CP, Xu H, Heck KN, Luo G, Senftle TP, Wong MS. Mechanistic Insights into pH-Controlled Nitrite Reduction to Ammonia and Hydrazine over Rhodium Acs Catalysis. 10: 494-509. DOI: 10.1021/Acscatal.9B03239  0.276
2022 Chen Y, Bhati M, Walls BW, Wang B, Wong MS, Senftle TP. Mechanistic Insight into the Photo-Oxidation of Perfluorocarboxylic Acid over Boron Nitride. Environmental Science & Technology. PMID 35617117 DOI: 10.1021/acs.est.2c01637  0.269
2021 Long M, Elias WC, Heck KN, Luo YH, Lai YS, Jin Y, Gu H, Donoso J, Senftle TP, Zhou C, Wong MS, Rittmann BE. Hydrodefluorination of Perfluorooctanoic Acid in the H-Based Membrane Catalyst-Film Reactor with Platinum Group Metal Nanoparticles: Pathways and Optimal Conditions. Environmental Science & Technology. PMID 34874150 DOI: 10.1021/acs.est.1c06528  0.257
2010 Gurkan B, Goodrich BF, Mindrup EM, Ficke LE, Massel M, Seo S, Senftle TP, Wu H, Glaser MF, Shah JK, Maginn EJ, Brennecke JF, Schneider WF. Molecular design of high capacity, low viscosity, chemically tunable ionic liquids for CO2 capture Journal of Physical Chemistry Letters. 1: 3494-3499. DOI: 10.1021/Jz101533K  0.257
2022 Zhu J, Wang P, Zhang X, Zhang G, Li R, Li W, Senftle TP, Liu W, Wang J, Wang Y, Zhang A, Fu Q, Song C, Guo X. Dynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO hydrogenation. Science Advances. 8: eabm3629. PMID 35119927 DOI: 10.1126/sciadv.abm3629  0.256
2020 Duan L, Wang B, Heck K, Guo S, Clark CA, Arredondo J, Wang M, Senftle TP, Westerhoff P, Wen X, Song Y, Wong MS. Efficient Photocatalytic PFOA Degradation over Boron Nitride Environmental Science & Technology Letters. 7: 613-619. DOI: 10.1021/Acs.Estlett.0C00434  0.23
2019 Bhati M, Senftle TP. Identifying Adhesion Properties at Si/Polymer Interfaces with ReaxFF The Journal of Physical Chemistry C. 123: 27036-27047. DOI: 10.1021/Acs.Jpcc.9B08216  0.221
2023 Rehn SM, Gerrard-Anderson TM, Chen Y, Wang P, Robertson T, Senftle TP, Jones MR. Surface Ligands Dictate the Mechanical Properties of Inorganic Nanomaterials. Acs Nano. PMID 36971281 DOI: 10.1021/acsnano.2c12497  0.215
2024 Calvillo Solís JJ, Sandoval-Pauker C, Bai D, Yin S, Senftle TP, Villagrán D. Electrochemical Reduction of Perfluorooctanoic Acid (PFOA): An Experimental and Theoretical Approach. Journal of the American Chemical Society. 146: 10687-10698. PMID 38578843 DOI: 10.1021/jacs.4c00443  0.215
2024 Long M, Chen Y, Senftle TP, Elias W, Heck K, Zhou C, Wong MS, Rittmann BE. Method of H Transfer Is Vital for Catalytic Hydrodefluorination of Perfluorooctanoic Acid (PFOA). Environmental Science & Technology. PMID 38165826 DOI: 10.1021/acs.est.3c07650  0.203
2022 Lyu Y, Wang P, Liu D, Zhang F, Senftle TP, Zhang G, Zhang Z, Wang J, Liu W. Tracing the Active Phase and Dynamics for Carbon Nanofiber Growth on Nickel Catalyst Using Environmental Transmission Electron Microscopy. Small Methods. e2200235. PMID 35484478 DOI: 10.1002/smtd.202200235  0.195
2023 Wang M, Wang P, Zhang G, Cheng Z, Zhang M, Liu Y, Li R, Zhu J, Wang J, Bian K, Liu Y, Ding F, Senftle TP, Nie X, Fu Q, et al. Stabilizing CoC with HO and K promoter for CO hydrogenation to C hydrocarbons. Science Advances. 9: eadg0167. PMID 37327337 DOI: 10.1126/sciadv.adg0167  0.181
2021 Zhu P, Xia C, Liu CY, Jiang K, Gao G, Zhang X, Xia Y, Lei Y, Alshareef HN, Senftle TP, Wang H. Direct and continuous generation of pure acetic acid solutions via electrocatalytic carbon monoxide reduction. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33380454 DOI: 10.1073/pnas.2010868118  0.171
2024 Fadaeerayeni S, Lyu X, Fang L, Wang P, Wu J, Li T, Senftle T, Xiang Y. Intermetallic NiGa Catalyst for Efficient Ammonia Reforming of Light Alkane. Journal of the American Chemical Society. PMID 38232312 DOI: 10.1021/jacs.3c11981  0.151
2023 Denison SB, Jin P, Dias Da Silva P, Chu C, Moorthy B, Senftle TP, Zygourakis K, Alvarez PJJ. Pyro-Catalytic Degradation of Pyrene by Bentonite-Supported Transition Metals: Mechanistic Insights and Trade-Offs with Low Pyrolysis Temperature. Environmental Science & Technology. PMID 37683087 DOI: 10.1021/acs.est.3c04487  0.15
2023 Sánchez-Alvarado AB, Zhou J, Jin P, Neumann O, Senftle TP, Nordlander P, Halas NJ. Combined Surface-Enhanced Raman and Infrared Absorption Spectroscopies for Streamlined Chemical Detection of Polycyclic Aromatic Hydrocarbon-Derived Compounds. Acs Nano. PMID 38063501 DOI: 10.1021/acsnano.3c10746  0.144
2020 Liu C, Zhang S, Martinez D, Li M, Senftle TP. Using statistical learning to predict interactions between single metal atoms and modified MgO(100) supports Npj Computational Materials. 6. DOI: 10.1038/s41524-020-00371-x  0.141
2021 Bhati M, Nguyen QA, Biswal SL, Senftle TP. Combining ReaxFF Simulations and Experiments to Evaluate the Structure-Property Characteristics of Polymeric Binders in Si-Based Li-Ion Batteries. Acs Applied Materials & Interfaces. PMID 34432417 DOI: 10.1021/acsami.1c08484  0.138
2021 Zhu Y, Zhu D, Chen Y, Yan Q, Liu CY, Ling K, Liu Y, Lee D, Wu X, Senftle TP, Verduzco R. Porphyrin-based donor-acceptor COFs as efficient and reusable photocatalysts for PET-RAFT polymerization under broad spectrum excitation. Chemical Science. 12: 16092-16099. PMID 35024131 DOI: 10.1039/d1sc05379e  0.134
2023 Bhati M, Ivanov SA, Senftle TP, Tretiak S, Ghosh D. How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights. Nanoscale. PMID 37013402 DOI: 10.1039/d2nr06785d  0.125
2023 Zhu D, Zhu Y, Chen Y, Yan Q, Wu H, Liu CY, Wang X, Alemany LB, Gao G, Senftle TP, Peng Y, Wu X, Verduzco R. Three-dimensional covalent organic frameworks with pto and mhq-z topologies based on Tri- and tetratopic linkers. Nature Communications. 14: 2865. PMID 37208348 DOI: 10.1038/s41467-023-38538-x  0.105
2012 Wu C, Senftle TP, Schneider WF. First-principles-guided design of ionic liquids for CO2 capture. Physical Chemistry Chemical Physics : Pccp. 14: 13163-70. PMID 22948394 DOI: 10.1039/c2cp41769c  0.104
2022 Liu CY, Ye S, Li M, Senftle TP. A rapid feature selection method for catalyst design: Iterative Bayesian additive regression trees (iBART). The Journal of Chemical Physics. 156: 164105. PMID 35490030 DOI: 10.1063/5.0090055  0.088
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