国家/地区 India（11）
关键词 DFT（11）
出版物 CATALYSIS TODAY（2）
出版时间 2017（2） 2018（2） 2021（2） 2022（2） 2023（2）
机构 JADAVPUR UNI.（2） SRM UNIV（2）
作者 THAPA R（11）

Origin of spin polarization in an edge boron doped zigzag graphene nanoribbon: a potential spin filter

NANOTECHNOLOGY

CHAKRABARTY S, WASEY AHMA, THAPA R, DAS GP

Structural and Electronic Descriptors of Catalytic Activity of Graphene-Based Materials: First-Principles Theoretical Analysis

SMALL

SINTHIKA S, WAGHMARE UV, THAPA R

Small Pd cluster adsorbed double vacancy defect graphene sheet for hydrogen storage: A first-principles study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

SEN D, THAPA R, CHATTOPADHYAY KK

Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide

CHEMICAL PHYSICS LETTERS

ROY R, THAPA R, CHAKRABARTY S, JHA A, MIDYA PR, KUMAR EM, CHATTOPADHYAY KK

First-principles identification of site dependent activity of graphene based electrocatalyst

MOLECULAR CATALYSIS

NANDHINI S, RAJKAMAL A, SAHA B, THAPA R

Promoting reactivity of graphene based catalysts to achieve LH mechanism for CO oxidation

CATALYSIS TODAY

TRIPATHI A, THAPA R

Identification of Borophosphene/graphene heterostructure as anode for Li-ion Batteries and its origin

JOURNAL OF POWER SOURCES

GAVALI DS, THAPA R

First-principles identification of interface effect on Li storage capacity of C3N/graphene multilayer heterostructure

JOURNAL OF COLLOID INTERFACE SCIENCE

GAVALI DS, KAWAZOE Y, THAPA R

Identification of ORR activity of random graphene-based systems using the general descriptor and predictive model equation

CARBON

KAPSE S, BARMAN N, THAPA R

Understanding the role of lithium bonds in doped graphene nanoribbons as cathode hosts for Li-S batteries: A first-principles study

INTERNATIONAL JOURNAL OF ENERGY RESEARCH

SINTHIKA S, SELVI MP, ELIZABETH RN, GAVALI DS, THAPA R