Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways K Mathew, R Sundararaman, K Letchworth-Weaver, TA Arias, RG Hennig The Journal of chemical physics 140 (8), 2014 | 2089 | 2014 |
Theoretical predictions for hot-carrier generation from surface plasmon decay R Sundararaman, P Narang, AS Jermyn, WA Goddard III, HA Atwater Nature communications 5 (1), 5788, 2014 | 749 | 2014 |
Nonradiative plasmon decay and hot carrier dynamics: effects of phonons, surfaces, and geometry AM Brown, R Sundararaman, P Narang, WA Goddard III, HA Atwater ACS nano 10 (1), 957-966, 2016 | 671 | 2016 |
Mechanistic explanation of the pH dependence and onset potentials for hydrocarbon products from electrochemical reduction of CO on Cu (111) H Xiao, T Cheng, WA Goddard III, R Sundararaman Journal of the American Chemical Society 138 (2), 483-486, 2016 | 444 | 2016 |
Plasmonic hot electron transport drives nano-localized chemistry E Cortés, W Xie, J Cambiasso, AS Jermyn, R Sundararaman, P Narang, ... Nature communications 8 (1), 14880, 2017 | 400 | 2017 |
JDFTx: software for joint density-functional theory R Sundararaman, K Letchworth-Weaver, KA Schwarz, D Gunceler, ... SoftwareX 6, 278-284, 2017 | 369 | 2017 |
Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion P Narang, R Sundararaman, HA Atwater Nanophotonics 5 (1), 96-111, 2016 | 297 | 2016 |
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry R Sundararaman, WA Goddard, TA Arias The Journal of chemical physics 146 (11), 2017 | 296 | 2017 |
Nanoscale imaging of lithium ion distribution during in situ operation of battery electrode and electrolyte ME Holtz, Y Yu, D Gunceler, J Gao, R Sundararaman, KA Schwarz, ... Nano letters 14 (3), 1453-1459, 2014 | 285 | 2014 |
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model R Sundararaman, WA Goddard The Journal of chemical physics 142 (6), 2015 | 224 | 2015 |
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems D Gunceler, K Letchworth-Weaver, R Sundararaman, KA Schwarz, ... Modelling and Simulation in Materials Science and Engineering 21 (7), 074005, 2013 | 221 | 2013 |
Ab initio phonon coupling and optical response of hot electrons in plasmonic metals AM Brown, R Sundararaman, P Narang, WA Goddard III, HA Atwater Physical Review B 94 (7), 075120, 2016 | 192 | 2016 |
Ultrafast hot-hole injection modifies hot-electron dynamics in Au/p-GaN heterostructures G Tagliabue, JS DuChene, M Abdellah, A Habib, DJ Gosztola, Y Hattori, ... Nature Materials 19 (12), 1312-1318, 2020 | 178 | 2020 |
Quantifying the role of surface plasmon excitation and hot carrier transport in plasmonic devices G Tagliabue, AS Jermyn, R Sundararaman, AJ Welch, JS DuChene, ... Nature communications 9 (1), 3394, 2018 | 175 | 2018 |
Electroless formation of hybrid lithium anodes for fast interfacial ion transport S Choudhury, Z Tu, S Stalin, D Vu, K Fawole, D Gunceler, ... Angewandte Chemie International Edition 56 (42), 13070-13077, 2017 | 171 | 2017 |
Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems R Sundararaman, TA Arias Physical Review B—Condensed Matter and Materials Physics 87 (16), 165122, 2013 | 156 | 2013 |
Experimental and Ab Initio Ultrafast Carrier Dynamics in Plasmonic Nanoparticles AM Brown, R Sundararaman, P Narang, AM Schwartzberg, ... Physical review letters 118 (8), 087401, 2017 | 145 | 2017 |
Plasmonic tunnel junctions for single-molecule redox chemistry B de Nijs, F Benz, SJ Barrow, DO Sigle, R Chikkaraddy, A Palma, ... Nature communications 8 (1), 994, 2017 | 135 | 2017 |
Lead-related quantum emitters in diamond ME Trusheim, NH Wan, KC Chen, CJ Ciccarino, J Flick, R Sundararaman, ... Physical Review B 99 (7), 075430, 2019 | 133 | 2019 |
A chiral switchable photovoltaic ferroelectric 1D perovskite Y Hu, F Florio, Z Chen, WA Phelan, MA Siegler, Z Zhou, Y Guo, R Hawks, ... Science Advances 6 (9), eaay4213, 2020 | 132 | 2020 |