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SRINUVASU KANCHARLAPALLI
SRINUVASU KANCHARLAPALLI
Bhabha Atomic Research Centre, Homi Bhabha National Institute/Northwestern University
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Graphyne and graphdiyne: promising materials for nanoelectronics and energy storage applications
K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 116 (9), 5951-5956, 2012
5082012
Porous graphitic carbon nitride: a possible metal-free photocatalyst for water splitting
K Srinivasu, B Modak, SK Ghosh
The Journal of Physical Chemistry C 118 (46), 26479-26484, 2014
2092014
Fast and accurate machine learning strategy for calculating partial atomic charges in metal–organic frameworks
S Kancharlapalli, A Gopalan, M Haranczyk, RQ Snurr
Journal of Chemical Theory and Computation 17 (5), 3052-3064, 2021
1072021
Transition metal decorated graphyne: an efficient catalyst for oxygen reduction reaction
K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 117 (49), 26021-26028, 2013
1012013
Transition metal decorated porphyrin-like porous fullerene: promising materials for molecular hydrogen adsorption
K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 116 (48), 25184-25189, 2012
792012
Photocatalytic splitting of water on s-triazine based graphitic carbon nitride: an ab initio investigation
K Srinivasu, SK Ghosh
Journal of Materials Chemistry A 3 (45), 23011-23016, 2015
672015
Exploring pure and RE co-doped (Eu3+, Tb3+ and Dy3+) gadolinium scandate: Luminescence behaviour and dynamics of energy transfer
SK Gupta, V Grover, R Shukla, K Srinivasu, V Natarajan, AK Tyagi
Chemical Engineering Journal 283, 114-126, 2016
642016
Photocatalytic Activity of NaTaO3 Doped with N, Mo, and (N,Mo): A Hybrid Density Functional Study
B Modak, K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 118 (20), 10711-10719, 2014
632014
Nanoscale curvature-induced hydrogen adsorption in alkali metal doped carbon nanomaterials
KRS Chandrakumar, K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 112 (40), 15670-15679, 2008
632008
Band gap engineering of natao 3 using density functional theory: a charge compensated codoping strategy
B Modak, K Srinivasu, SK Ghosh
Physical Chemistry Chemical Physics 16 (32), 17116-17124, 2014
582014
Exploring metal decorated porphyrin-like porous fullerene as catalyst for oxygen reduction reaction: a DFT study
B Modak, K Srinivasu, SK Ghosh
International Journal of Hydrogen Energy 42 (4), 2278-2287, 2017
572017
Quantum chemical studies on hydrogen adsorption in carbon-based model systems: role of charged surface and the electronic induction effect
K Srinivasu, KRS Chandrakumar, SK Ghosh
Physical Chemistry Chemical Physics 10 (38), 5832-5839, 2008
572008
Tuning the metal binding energy and hydrogen storage in alkali metal decorated MOF-5 through boron doping: A theoretical investigation
K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 115 (34), 16984-16991, 2011
562011
Morphology dependent oxygen reduction activity of titanium carbide: bulk vs. nanowires
V Kiran, K Srinivasu, S Sampath
Physical Chemistry Chemical Physics 15 (22), 8744-8751, 2013
532013
Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters
K Srinivasu, SK Ghosh, R Das, S Giri, PK Chattaraj
RSC Advances 2 (7), 2914-2922, 2012
502012
An ab Initio Investigation of Hydrogen Adsorption in Li-Doped closo-Boranes
K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 115 (5), 1450-1456, 2011
482011
Computational Investigation of Hydrogen Adsorption by Alkali‐Metal‐Doped Organic Molecules: Role of Aromaticity
K Srinivasu, KRS Chandrakumar, SK Ghosh
ChemPhysChem 10 (2), 427-435, 2009
472009
A hybrid DFT based investigation of the photocatalytic activity of cation–anion codoped SrTiO 3 for water splitting under visible light
B Modak, K Srinivasu, SK Ghosh
Physical Chemistry Chemical Physics 16 (44), 24527-24535, 2014
432014
High-Throughput Screening of the CoRE-MOF-2019 Database for CO2 Capture from Wet Flue Gas: A Multi-Scale Modeling Strategy
S Kancharlapalli, RQ Snurr
ACS Applied Materials & Interfaces 15 (23), 28084-28092, 2023
382023
Improving photocatalytic properties of SrTiO 3 through (Sb, N) codoping: a hybrid density functional study
B Modak, K Srinivasu, SK Ghosh
RSC Advances 4 (86), 45703-45709, 2014
342014
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