国家/地区 India（2） Mexico（2）
关键词 GRAPHENE（6）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（6）
出版时间 2022（6）
机构
作者

Optimal model of semi-infinite graphene for ab initio calculations of reactions at graphene edges by the example of zigzag edge reconstruction

COMPUTATIONAL THEORETICAL CHEMISTRY

POLYNSKAYA YG, LEBEDEVA IV, KNIZHNIK AA, POPOV AM

Adsorption of glyphosate on graphene and functionalized graphenes: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

MOJICASANCHEZ JP, LANGARICARIVERA VM, PINEDAURBINA K, NOCHEBUENA J, JAYAPRAKASH GK, SANDOVAL ZG

Boron doped graphene as anode material for Mg ion battery: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

RIYAZ M, GARG S, KAUR N, GOEL N

Adsorption of acetic acid and benzoic acid on pristine and defect containing graphene: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

ESCARENO AA, PAEZORNELAS JI, GUERREROSANCHEZ J, SAENZGALINDO A, GARCIADIAZ R, GALLARDOVEGA C, OCHOAVALIENTE R, DE LA CRUZ MTR

Theoretical insight on dopamine, ascorbic acid and uric acid adsorption on graphene as material for biosensors

COMPUTATIONAL THEORETICAL CHEMISTRY

FERNANDEZ ACR, MEIER LA, CASTELLANI NJ

Comparative study on adsorption behaviour of the monolayer graphene, boron nitride and silicon carbide hetero-sheets towards carbon monoxide: Insights from first-principle studies

COMPUTATIONAL THEORETICAL CHEMISTRY

DINDORKAR SS, YADAV A