国家/地区 China（7）
关键词 DENSITY FUNCTIONAL THEORY（7）
出版物 FUEL（3）
出版时间 2022（3） 2023（2）
机构
作者 DAI XQ（7）

Geometric stability, electronic structure, and intercalation mechanism of Co adatom anchors on graphene sheets

JOURNAL OF PHYSICSCONDENSED MATTER

TANG YA, CHEN WG, LI CG, LI W, DAI XQ

Density functional theory study on the adsorption properties of SO2 gas on graphene, N, Ti, and N-Ti doped graphene

MICRO NANOSTRUCTURES

LUO QQ, YIN SQ, SUN XX, TANG YA, FENG Z, DAI XQ

Comparative Study of NO and CO Oxidation Reactions on Single-Atom Catalysts Anchored Graphene-like Monolayer

CHEMPHYSCHEM

TANG YN, CHEN WG, ZHAO G, TENG D, CUI YQ, LI ZH, FENG Z, DAI XQ

Theoretical prediction on stability, electronic and activity properties of single-atom catalysts anchored graphene and bore

FUEL

TANG Y, CHEN WG, ZHAO MY, SHI JL, CUI YQ, LI ZH, WANG ZW, FENG Z, DAI XQ

Density functional theory study on the electronic, optical and adsorption properties of Ti-, Fe- and Ni- doped graphene

DIAMOND RELATED MATERIALS

LUO QQ, YIN SQ, SUN XX, TANG YA, FENG Z, DAI XQ

Theoretical prediction on stability, electronic and activity properties of single-atom catalysts anchored graphene and boron phosphide heterostructures

FUEL

TANG YA, CHEN WG, ZHAO MY, SHI JL, CUI YQ, LI ZH, WANG ZW, FENG Z, DAI XQ

Theoretical insights into the CO/NO oxidation mechanisms on single-atom catalysts anchored H-4,H-4,H-4-graphyne and H-4,H-4,H-4-graphyne/graphene sheets

FUEL

TANG YA, SHI JL, CHEN WG, LI Y, TIAN H, CUI YQ, WANG ZW, FENG Z, DAI XQ