Thomas P Senftle
Thomas P Senftle
Assistant Professor, ChBE, Rice University
Verified email at - Homepage
Cited by
Cited by
The ReaxFF reactive force-field: development, applications and future directions
TP Senftle, S Hong, MM Islam, SB Kylasa, Y Zheng, YK Shin, ...
npj Computational Materials 2 (1), 1-14, 2016
Molecular Design of High Capacity, Low Viscosity, Chemically Tunable Ionic Liquids for CO2 Capture
B Gurkan, BF Goodrich, EM Mindrup, LE Ficke, M Massel, S Seo, ...
The Journal of Physical Chemistry Letters 1 (24), 3494-3499, 2010
Interaction trends between single metal atoms and oxide supports identified with density functional theory and statistical learning
NJ O’Connor, ASM Jonayat, MJ Janik, TP Senftle
Nature Catalysis 1 (7), 531-539, 2018
The Holy Grail: Chemistry Enabling an Economically Viable CO2 Capture, Utilization, and Storage Strategy
TP Senftle, EA Carter
Accounts of chemical research 50 (3), 472-475, 2017
First-principles-guided design of ionic liquids for CO 2 capture
C Wu, TP Senftle, WF Schneider
Physical Chemistry Chemical Physics 14 (38), 13163-13170, 2012
Methane Activation at the Pd/CeO2 Interface
TP Senftle, ACT Van Duin, MJ Janik
ACS Catalysis 7 (1), 327-332, 2017
Development of a ReaxFF potential for Pd/O and application to palladium oxide formation
TP Senftle, RJ Meyer, MJ Janik, ACT van Duin
The Journal of chemical physics 139 (4), 044109, 2013
Understanding the effects of Cd and Ag doping in Cu2ZnSnS4 solar cells
GS Gautam, TP Senftle, EA Carter
Chem. Mater. 30 (14), 4543-4555, 2018
Reaction mechanism governing formation of 1, 3-bis (diphenylphosphino) propane-protected gold nanoclusters
JW Hudgens, JM Pettibone, TP Senftle, RN Bratton
Inorganic chemistry 50 (20), 10178-10189, 2011
Charge transfer stabilization of late transition metal oxide nanoparticles on a layered niobate support
ME Strayer, TP Senftle, JP Winterstein, NM Vargas-Barbosa, R Sharma, ...
Journal of the American Chemical Society 137 (51), 16216-16224, 2015
Influence of Hydroxyls on Pd Atom Mobility and Clustering on Rutile TiO2(011)-2 × 1
R Addou, TP Senftle, N O’Connor, MJ Janik, ACT Van Duin, M Batzill
ACS nano 8 (6), 6321-6333, 2014
Role of Site Stability in Methane Activation on PdxCe1–xOδ Surfaces
TP Senftle, ACT Van Duin, MJ Janik
ACS Catalysis 5 (10), 6187-6199, 2015
A ReaxFF investigation of hydride formation in palladium nanoclusters via Monte Carlo and molecular dynamics simulations
TP Senftle, MJ Janik, ACT Van Duin
The Journal of Physical Chemistry C 118 (9), 4967-4981, 2014
Interaction of Pyridine and Water with the Reconstructed Surfaces of GaP(111) and CdTe(111) Photoelectrodes: Implications for CO2 Reduction
TP Senftle, M Lessio, EA Carter
Chemistry of Materials 28 (16), 5799-5810, 2016
Molecular dynamics investigation of the effects of tip–substrate interactions during nanoindentation
F Tavazza, TP Senftle, C Zou, CA Becker, ACT van Duin
The Journal of Physical Chemistry C 119 (24), 13580-13589, 2015
Variation in the In2O3 Crystal Phase Alters Catalytic Performance toward the Reverse Water Gas Shift Reaction
J Wang, CY Liu, TP Senftle, J Zhu, G Zhang, X Guo, C Song
ACS Catalysis 10 (5), 3264-3273, 2019
Growth of Stable Surface Oxides on Pt (111) at Near‐Ambient Pressures
D Fantauzzi, S Krick Calderón, JE Mueller, M Grabau, C Papp, ...
Angewandte Chemie International Edition 56 (10), 2594-2598, 2017
Is the Surface Playing a Role during Pyridine-Catalyzed CO2 Reduction on p-GaP Photoelectrodes?
M Lessio, TP Senftle, EA Carter
ACS Energy Letters 1 (2), 464-468, 2016
Mechanistic insights into pH-controlled nitrite reduction to ammonia and hydrazine over rhodium
CA Clark, CP Reddy, H Xu, KN Heck, G Luo, TP Senftle, MS Wong
ACS Catalysis 10 (1), 494-509, 2019
Efficient photocatalytic PFOA degradation over boron nitride
L Duan, B Wang, K Heck, S Guo, CA Clark, J Arredondo, M Wang, ...
Environmental Science & Technology Letters 7 (8), 613-619, 2020
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