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Sougata Pal
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Nonadiabatic molecular dynamics for thousand atom systems: A tight-binding approach toward PYXAID
S Pal, DJ Trivedi, AV Akimov, B Aradi, T Frauenheim, OV Prezhdo
Journal of Chemical Theory and Computation 12 (4), 1436-1448, 2016
1152016
Tuning the energy levels of ZnO/ZnS core/shell nanowires to design an efficient nanowire-based dye-sensitized solar cell
S Saha, S Sarkar, S Pal, P Sarkar
The Journal of Physical Chemistry C 117 (31), 15890-15900, 2013
612013
A theoretical perspective on the photovoltaic performance of s, n-heteroacenes: An even–odd effect on the charge separation dynamics
S Biswas, A Pramanik, S Pal, P Sarkar
The Journal of Physical Chemistry C 121 (5), 2574-2587, 2017
582017
Size-dependent properties of Zn m S n clusters: A density-functional tight-binding study
S Pal, B Goswami, P Sarkar
The Journal of Chemical Physics 123 (4), 044311, 2005
572005
Engineering the magnetic properties of PtSe2 monolayer through transition metal doping
M Kar, R Sarkar, S Pal, P Sarkar
Journal of Physics: Condensed Matter 31 (14), 145502, 2019
562019
Sub-picosecond Auger-mediated hole-trapping dynamics in colloidal CdSe/CdS core/shell nanoplatelets
S Dong, S Pal, J Lian, Y Chan, OV Prezhdo, ZH Loh
ACS Nano 10 (10), 9370-9378, 2016
532016
Self-Consistent-Charge Density-Functional Tight-Binding Parameters for Cd–X (X= S, Se, Te) Compounds and Their Interaction with H, O, C, and N
S Sarkar, S Pal, P Sarkar, AL Rosa, T Frauenheim
Journal of Chemical Theory and Computation 7 (7), 2262-2276, 2011
512011
A theoretical study on the electronic structure of ZnSe/ZnS and ZnS/ZnSe core/shell nanoparticles
B Goswami, S Pal, P Sarkar
The Journal of Physical Chemistry C 112 (31), 11630-11636, 2008
472008
Photophysical Properties of CdSe/CdS core/shell quantum dots with tunable surface composition
KL Sowers, Z Hou, JJ Peterson, B Swartz, S Pal, O Prezhdo, TD Krauss
Chemical Physics 471, 24-31, 2016
442016
Modulating triphenylamine-based organic dyes for their potential application in dye-sensitized solar cells: a first principle theoretical study
NN Ghosh, A Chakraborty, S Pal, A Pramanik, P Sarkar
Physical Chemistry Chemical Physics 16 (46), 25280-25287, 2014
432014
Common defects accelerate charge separation and reduce recombination in CNT/molecule composites: atomistic quantum dynamics
R Sarkar, M Kar, M Habib, G Zhou, T Frauenheim, P Sarkar, S Pal, ...
Journal of the American Chemical Society 143 (17), 6649-6656, 2021
422021
Pentacene–fullerene bulk-heterojunction solar cell: a computational study
A Pramanik, S Sarkar, S Pal, P Sarkar
Physics Letters A 379 (14-15), 1036-1042, 2015
412015
Theoretical study of structural, electronic, and optical properties of clusters
B Goswami, S Pal, P Sarkar, G Seifert, M Springborg
Physical Review B 73 (20), 205312, 2006
412006
Laser-induced explosion of nitrated carbon nanotubes: nonadiabatic and reactive molecular dynamics simulations
VV Chaban, S Pal, OV Prezhdo
Journal of the American Chemical Society 138 (49), 15927-15934, 2016
402016
A complete set of self‐consistent charge density‐functional tight‐binding parametrization of zinc chalcogenides (ZnX; X= O, S, Se, and Te)
S Saha, S Pal, P Sarkar, AL Rosa, T Frauenheim
Journal of Computational Chemistry 33 (12), 1165-1178, 2012
402012
Size-Dependent properties of hollow ZnS nanoclusters
S Pal, B Goswami, P Sarkar
The Journal of Physical Chemistry C 112 (16), 6307-6312, 2008
402008
Effect of Aspect Ratio on Multiparticle Auger Recombination in Single-Walled Carbon Nanotubes: Time Domain Atomistic Simulation
S Pal, D Casanova, OV Prezhdo
Nano Letters 18 (1), 58-63, 2017
392017
Theoretical study on the structural, energetic, and optical properties of ZnS nanotube
S Pal, B Goswami, P Sarkar
The Journal of Physical Chemistry C 111 (4), 1556-1559, 2007
382007
Electronic structure and band gap engineering of CdTe semiconductor nanowires
S Sarkar, S Pal, P Sarkar
Journal of Materials Chemistry 22 (21), 10716-10724, 2012
372012
Atomistic Analysis of Room Temperature Quantum Coherence in Two-Dimensional CdSe Nanostructures
S Pal, P Nijjar, T Frauenheim, OV Prezhdo
Nano Letters 17 (4), 2389-2396, 2017
352017
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Articles 1–20