国家/地区 India（9）
关键词 BINDING ENERGY（9）
出版物 JOURNAL OF COMPUTAT.（2）
出版时间 2017（2） 2019（2）
机构 BHABHA ATOM .（2） INDIAN INST .（2）
作者 JAISWAL NK（4） SRIVASTAVA P（2）

Functionalization of zigzag graphene nanoribbon with DNA nucleobases-A DFT study

APPLIED SURFACE SCIENCE

KUMAR J, KARTHIK P, NEPPOLIAN B, THIRUVADIGAL DJ

Density Functional Theory Study of Aspirin Adsorption on BCN Sheets and their Hydrogen Evolution Reaction Activity: a Comparative Study with Graphene and Hexagonal Boron Nitride

CHEMPHYSCHEM

YADAV VK, MIR SH, SINGH JK

Density functional insights of iodine interaction with graphene and its nanoribbon with zigzag edges

PHYSICA BCONDENSED MATTER

JAISWAL NK, PATEL C

Li-decorated double vacancy graphene for hydrogen storage application: A first principles study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

SEENITHURAI S, PANDYAN RK, KUMAR SV, SARANYA C, MAHENDRAN M

Tailoring the Electronic Structure of Zigzag Graphene Nanoribbons via Cu Impurities

JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE

JAISWAL NK, SRIVASTAVA P

Ab-Initio Study of Transition Metal (Ni) Interaction with Zigzag Graphene Nanoribbons

JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE

JAISWAL NK, SRIVASTAVA P

A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube

JOURNAL OF CHEMICAL PHYSICS

RAJESH C, MAJUMDER C, MIZUSEKI H, KAWAZOE Y

Tailoring the electronic properties of zigzag graphene nanoribbons via sp(2)/sp(3) edge functionalization with H/F

ORGANIC ELECTRONICS

JAISWAL NK

Adsorption properties of fission gases Xe and Kr on pristine and doped graphene: A first principle DFT study

JOURNAL OF NUCLEAR MATERIALS

VAZHAPPILLY T, GHANTY TK, JAGATAP BN