国家/地区 India（6）
关键词 ADSORPTION（3） DFT（3） GRAPHENE（3）
B（2）
出版物 STRUCTURAL CHEMISTRY（6）
出版时间 2021（3） 2020（2）
机构 BHARATHIAR U.（2）
作者 JOGENDER（3） KAKKAR R（3） MANDEEP（2） SHANKAR R（2）

Adsorption of H(2)molecules on B/N-doped defected graphene sheets-a DFT study

STRUCTURAL CHEMISTRY

AKILAN R, VINNARASI S, MOHANAPRIYA S, SHANKAR R

Adsorption of methyl isocyanate on M-4 (M=Fe, Ni, and Cu) cluster-decorated graphene and vacancy graphene: a DFT-D2 study

STRUCTURAL CHEMISTRY

JOGENDER, MANDEEP, BADHANI B, KAKKAR R

DFT-based investigation on adsorption of methane on pristine and defected graphene

STRUCTURAL CHEMISTRY

ANITHAA VS, SHANKAR R, VIJAYAKUMAR S

Decontamination of chloropicrin (PS) and its analogues using graphene and modified graphene surfaces: a computational study

STRUCTURAL CHEMISTRY

JOGENDER, KAKKAR R

Adsorption of HOOO. radical on pristine and doped graphene-a first-principles study

STRUCTURAL CHEMISTRY

LASKAR BI, SHUKLA PK

DFT study of carbaryl pesticide adsorption on vacancy and nitrogen-doped graphene decorated with platinum clusters

STRUCTURAL CHEMISTRY

MANDEEP, GULATI A, JOGENDER, KAKKAR R