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Indrani Choudhuri
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Recent advances in graphene-like 2D materials for spintronics applications
I Choudhuri, P Bhauriyal, B Pathak
Chemistry of Materials 31 (20), 8260-8285, 2019
1552019
Hexagonal planar CdS monolayer sheet for visible light photocatalysis
P Garg, S Kumar, I Choudhuri, A Mahata, B Pathak
The Journal of Physical Chemistry C 120 (13), 7052-7060, 2016
1502016
B–N@ Graphene: highly sensitive and selective gas sensor
I Choudhuri, N Patra, A Mahata, R Ahuja, B Pathak
The Journal of Physical Chemistry C 119 (44), 24827-24836, 2015
1312015
Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: a density functional study
A Mahata, RK Rai, I Choudhuri, SK Singh, B Pathak
Physical Chemistry Chemical Physics 16 (47), 26365-26374, 2014
1282014
Computational studies of photocatalysis with metal–organic frameworks
XP Wu, I Choudhuri, DG Truhlar
Energy & Environmental Materials 2 (4), 251-263, 2019
832019
Band gap opening in stanene induced by patterned B–N doping
P Garg, I Choudhuri, A Mahata, B Pathak
Physical Chemistry Chemical Physics 19 (5), 3660-3669, 2017
652017
Stanene based gas sensors: effect of spin–orbit coupling
P Garg, I Choudhuri, B Pathak
Physical Chemistry Chemical Physics 19 (46), 31325-31334, 2017
592017
Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity
I Choudhuri, S Kumar, A Mahata, KS Rawat, B Pathak
Nanoscale 8 (29), 14117-14126, 2016
572016
Targeted water soluble copper–tetrazolate complexes: interactions with biomolecules and catecholase like activities
M Saha, M Das, R Nasani, I Choudhuri, M Yousufuddin, HP Nayek, ...
Dalton Transactions 44 (46), 20154-20167, 2015
512015
Catalytic Hydrogenation of CO2 by Manganese Complexes: Role of π-Acceptor Ligands
KS Rawat, A Mahata, I Choudhuri, B Pathak
The Journal of Physical Chemistry C 120 (30), 16478-16488, 2016
502016
Calculating and characterizing the charge distributions in solids
I Choudhuri, DG Truhlar
Journal of Chemical Theory and Computation 16 (9), 5884-5892, 2020
442020
Fe doped LaGaO 3: good white light emitters
P Singh, I Choudhuri, HM Rai, V Mishra, R Kumar, B Pathak, A Sagdeo, ...
RSC advances 6 (102), 100230-100238, 2016
432016
N-Heterocylic Carbene-Based Mn Electrocatalyst for Two-Electron CO2 Reduction over Proton Reduction
KS Rawat, A Mahata, I Choudhuri, B Pathak
The Journal of Physical Chemistry C 120 (16), 8821-8831, 2016
402016
HLE17: An efficient way to predict band gaps of complex materials
I Choudhuri, DG Truhlar
The Journal of Physical Chemistry C 123 (28), 17416-17424, 2019
392019
Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells
A Mahata, KS Rawat, I Choudhuri, B Pathak
Journal of Materials Chemistry A 4 (33), 12756-12767, 2016
372016
Lewis acid–base adducts for improving the selectivity and sensitivity of graphene based gas sensors
I Choudhuri, D Sadhukhan, P Garg, A Mahata, B Pathak
ACS Sensors 1 (4), 451-459, 2016
362016
Metal-free half-metallicity in a high energy phase C-doped gh-C 3 N 4 system: a high Curie temperature planar system
I Choudhuri, G Bhattacharyya, S Kumar, B Pathak
Journal of Materials Chemistry C 4 (48), 11530-11539, 2016
342016
High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism
G Bhattacharyya, I Choudhuri, B Pathak
Physical Chemistry Chemical Physics 20 (35), 22877-22889, 2018
332018
TM@ gt-C 3 N 3 monolayers: high-temperature ferromagnetism and high anisotropy
I Choudhuri, P Garg, B Pathak
Journal of Materials Chemistry C 4 (35), 8253-8262, 2016
332016
Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap
G Bhattacharyya, I Choudhuri, P Bhauriyal, P Garg, B Pathak
Nanoscale 10 (47), 22280-22292, 2018
322018
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