Thomas P Senftle
Thomas P Senftle
Assistant Professor, ChBE, Rice University
Verified email at rice.edu
TitleCited byYear
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, 15011, 2016
4342016
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
3042010
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
732012
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
592013
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
572017
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
452011
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
432014
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
412014
Methane Activation at the Pd/CeO2 Interface
TP Senftle, ACT van Duin, MJ Janik
ACS Catalysis 7 (1), 327-332, 2016
382016
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, 2018
372018
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
332015
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
272015
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
262016
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
262015
Understanding the Effects of Cd and Ag Doping in Cu2ZnSnS4 Solar Cells
G Sai Gautam, TP Senftle, EA Carter
Chemistry of Materials 30 (14), 4543-4555, 2018
232018
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
232016
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
182017
Determining in situ phases of a nanoparticle catalyst via grand canonical Monte Carlo simulations with the ReaxFF potential
TP Senftle, ACT van Duin, MJ Janik
Catalysis Communications 52, 72-77, 2014
172014
The Role of Surface-Bound Dihydropyridine Analogues in Pyridine-Catalyzed CO2 Reduction over Semiconductor Photoelectrodes
TP Senftle, M Lessio, EA Carter
ACS central science 3 (9), 968-974, 2017
132017
Hydride Shuttle Formation and Reaction with CO2 on GaP(110)
M Lessio, TP Senftle, EA Carter
ChemSusChem 11 (9), 1558-1566, 2018
82018
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