国家/地区 India（10）
关键词 DFT（10）
出版物 APPLIED SURFACE SCIENCE（10）
出版时间 2017（2） 2018（2） 2021（2）
机构 SRM INST SCI.（3）
作者 JANANI K（3） THIRUVADIGAL.（3） SRIVASTAVA A（2） SRIVASTAVA M（2）

Suitability of graphene monolayer as sensor for carcinogenic heavy metals in water: A DFT investigation

APPLIED SURFACE SCIENCE

SRIVASTAVA M, SRIVASTAVA A, PANDEY SK

Controlling the electronic properties of zigzag graphene nanoribbon using amino acids and oxygen molecule-A first principles DFT study

APPLIED SURFACE SCIENCE

KUMAR J, MOHANRAJ HR, CHRISTIAN PK, DAVID JT

Density functional study on covalent functionalization of zigzag graphene nanoribbon through L-Phenylalanine and boron doping: Effective nanocarriers in drug delivery applications

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

Adsorption of essential minerals on L-glutamine functionalized zigzag graphene nanoribbon-A first principles DFT study

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

Adsorption and decomposition of dimethyl methylphosphonate on pristine and mono-vacancy defected graphene: A first principles study

APPLIED SURFACE SCIENCE

MAJUMDER C

Chemical functionalization and edge doping of zigzag graphene nanoribbon with L-(+)-leucine and group IS elements-A DFT study

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

Structures and energetics of lithium adatom and its dimer on graphene-a DFT study

APPLIED SURFACE SCIENCE

KAUR G, GUPTA S, DHARAMVIR K

Worm-graphene: A two-dimensional orthorhombic carbon semimetal with massless Dirac fermion

APPLIED SURFACE SCIENCE

BHATTACHARYA D, JANA D

Cu decorated functionalized graphene for Arsenic sensing in water: A first principles analysis

APPLIED SURFACE SCIENCE

SRIVASTAVA M, SRIVASTAVA A

Substrate augmented catalytic activity towards NRR: A case study of Li doped Al clusters on defective graphene

APPLIED SURFACE SCIENCE

SAMAL PP, POONAM, KRISHNAMURTY S