K. Srinivasu

发表

Graphyne and Graphdiyne: Promising Materials for Nanoelectronics and Energy Storage Applications

K. Srinivasu, Swapan K. Ghosh, K. Srinivasu, 2012 .

Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters

K. Srinivasu, Swapan K. Ghosh, P. Chattaraj, 2012 .

Computational investigation of hydrogen adsorption by alkali-metal-doped organic molecules: role of aromaticity.

K. Srinivasu, Swapan K. Ghosh, K. Chandrakumar, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

First principles investigation of atomic gold dispersed g-C3N4 as an active catalyst for CO oxidation reaction

K. Srinivasu, A. Kandala, 2021 .

Can uranyl complexes encapsulate to carbon nanotubes? A periodic DFT study

K. Srinivasu, M. Sundararajan, 2017, Journal of Chemical Sciences.

Quantum chemical studies on hydrogen adsorption in carbon-based model systems: role of charged surface and the electronic induction effect.

K. Srinivasu, Swapan K. Ghosh, K. Chandrakumar, 2008, Physical chemistry chemical physics : PCCP.

Band gap engineering of NaTaO3 using density functional theory: a charge compensated codoping strategy.

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2014, Physical chemistry chemical physics : PCCP.

An ab Initio Investigation of Hydrogen Adsorption in Li-Doped closo-Boranes

K. Srinivasu, Swapan K. Ghosh, 2011 .

Hydrogen trapping ability of the pyridine-lithium⁺ (1:1) complex.

K. Srinivasu, Swapan K. Ghosh, S. Mondal, 2015, The journal of physical chemistry. A.

Hydrogen adsorption in lithium decorated conjugated microporous polymers: a DFT investigation

K. Srinivasu, Swapan K. Ghosh, 2014 .

Transition Metal Decorated Porphyrin-like Porous Fullerene: Promising Materials for Molecular Hydrogen Adsorption

K. Srinivasu, Swapan K. Ghosh, 2012 .

Computational investigation of hydrogen adsorption in silicon-lithium binary clusters#

Naresh K. Jena, K. Srinivasu, Swapan K. Ghosh, 2012, Journal of Chemical Sciences.

Theoretical studies on hydrogen adsorption properties of lithium decorated diborene (B2H4Li2) and diboryne (B2H2Li2)

K. Srinivasu, Swapan K. Ghosh, 2011 .

Tuning the Metal Binding Energy and Hydrogen Storage in Alkali Metal Decorated MOF-5 Through Boron Doping: A Theoretical Investigation

K. Srinivasu, Swapan K. Ghosh, 2011 .

First-principle investigation of electronic structures and interactions of foreign interstitial atoms (C, N, B, O) and intrinsic point defects in body- and face-centered cubic iron lattice: A comparative analysis

K. Srinivasu, N. Choudhury, A. Biswas, 2019, Computational Materials Science.

Exploring the electronic structure and thermal properties of UAl3 using density functional theory calculations

K. Srinivasu, T. Ghanty, B. Modak, 2020 .

Electronic structure and thermophysical properties of U3Si2: A systematic first principle study

K. Srinivasu, T. Ghanty, B. Modak, 2018, Journal of Nuclear Materials.

Photocatalytic splitting of water on s-triazine based graphitic carbon nitride: an ab initio investigation

K. Srinivasu, Swapan K. Ghosh, 2015 .

Porous Graphitic Carbon Nitride: A Possible Metal-free Photocatalyst for Water Splitting

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2014 .

A hybrid DFT based investigation of the photocatalytic activity of cation-anion codoped SrTiO3 for water splitting under visible light.

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2014, Physical chemistry chemical physics : PCCP.

Improving photocatalytic properties of SrTiO3 through (Sb, N) codoping: a hybrid density functional study

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2014 .

Photocatalytic Activity of NaTaO3 Doped with N, Mo, and (N,Mo): A Hybrid Density Functional Study

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2014 .

Ab initio studies on the electronic structure and properties of aluminum hydrides that are analogues of boron hydrides.

K. Srinivasu, Swapan K. Ghosh, K. Chandrakumar, 2010, The journal of physical chemistry. A.

Understanding the Structural and Electronic Effect of Zr4+-Doped KNb(Zr)O3 Perovskite for Enhanced Photoactivity: A Combined Experimental and Computational Study

Ujjwal Pal, K. Srinivasu, Y. Soujanya, 2017 .

Exploring metal decorated Porphyrin-like Porous Fullerene as catalyst for oxygen reduction reaction: A DFT study

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2017 .

Transition Metal Decorated Graphyne: An Efficient Catalyst for Oxygen Reduction Reaction

K. Srinivasu, Swapan K. Ghosh, 2013 .

Improving the photocatalytic activity of s-triazine based graphitic carbon nitride through metal decoration: an ab initio investigation.

K. Srinivasu, Swapan K. Ghosh, B. Modak, 2016, Physical chemistry chemical physics : PCCP.

Distortion energy-electronic energy compensation determines the nature of solute interactions with irradiation induced vacancies in ferritic steel.

K. Srinivasu, N. Choudhury, A. Biswas, 2021, Physical chemistry chemical physics : PCCP.

Electronic Structure, Optical Properties, and Hydrogen Adsorption Characteristics of Supercubane-Based Three-Dimensional Porous Carbon

K. Srinivasu, Swapan K. Ghosh, 2012 .

Electronic structure, stability and non-linear optical properties of aza-fullerenes C60-2nN2n(n=1–12)

Naresh K. Jena, K. Srinivasu, Swapan K. Ghosh, 2012 .

Work distribution for a particle moving in an optical trap and non-Markovian bath

K. Srinivasu, Swapan K. Ghosh, A. Samanta, 2009 .

Isomers of C12N12 as potential hydrogen storage materials and the effect of the electric field therein

K. Srinivasu, Swapan K. Ghosh, P. Chattaraj, 2013 .

Nanoscale Curvature-Induced Hydrogen Adsorption in Alkali Metal Doped Carbon Nanomaterials

K. Srinivasu, Swapan K. Ghosh, K. Chandrakumar, 2008 .