国家/地区 China（5）
关键词 DENSITY FUNCTIONAL THEORY（5）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（5）
出版时间
机构
作者

Transition metal-Nx doped graphene as an efficient oxygen reduction reaction catalyst: A theoretical perspective

COMPUTATIONAL THEORETICAL CHEMISTRY

CHEN MW, LUO MM, LIU C, QI XP, PEERA SG, LIANG TX

The interaction of hyaluronic acid and graphene tuned by functional groups: A density functional study

COMPUTATIONAL THEORETICAL CHEMISTRY

WANG Q, SHE WQ, LU X, LI PF, SUN YX, LIU XD, PAN WH, DUAN K

The magnetic and half-metal properties of iron clusters adsorbed on armchair graphene nanoribbon

COMPUTATIONAL THEORETICAL CHEMISTRY

WANG DH, YANG Z, XU LC, LIU XG, LIU RP, LI XY

Electronic and optical properties of adsorbed of Zr-atom on vacancy-defective graphene: First principles calculations

COMPUTATIONAL THEORETICAL CHEMISTRY

MA GL, GU JB, SUN B, WANG CJ, LI S, ZHANG WW

Theoretical investigation on the Ni atom-pair supported by N-doped graphene for the oxygen reduction reaction

COMPUTATIONAL THEORETICAL CHEMISTRY

ZHANG J, LI SC