国家/地区
关键词 DFT（3）
出版物 JOURNAL OF MOLECULAR MODELING（3）
出版时间 2021（3）
机构
作者

Theoretical study of small aromatic molecules adsorbed in pristine and functionalised graphene

JOURNAL OF MOLECULAR MODELING

TONEL MZ, ZANELLA I, FAGAN SB

A DFT-based analysis of adsorption properties of fluoride anion on intrinsic, B-doped, and Al-doped graphene

JOURNAL OF MOLECULAR MODELING

CHEN T, AN LB, JIA XT

First-principles study of structure, electronic, and magnetic properties of C sites vacancy defects in water adsorbed graphene/MoS2 van der Waals heterostructures

JOURNAL OF MOLECULAR MODELING

NEUPANE HK, ADHIKARI NP