国家/地区 China（7）
关键词 DENSITY FUNCTIONAL THEORY（7）
出版物
出版时间 2021（2）
机构
作者 LI Y（7）

Tunable band gaps in graphene/GaN van der Waals heterostructures

JOURNAL OF PHYSICSCONDENSED MATTER

HUANG L, YUE Q, KANG J, LI Y, LI JB

Bonding of Hydroxyl and Epoxy Groups on Graphene: Insights from Density Functional Calculations

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

JIA TT, SUN BZ, LIN HX, LI Y, CHEN WK

The structural and electronic properties of Li-doped fluorinated graphene and its application to hydrogen storage

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

LI Y, ZHAO GF, LIU CS, WANG YL, SUN JM, GU YZ, WANG YX, ZENG Z

Deep desulfurization of liquid fuels with molecular oxygen through graphene photocatalytic oxidation

APPLIED CATALYSIS BENVIRONMENTAL

ZENG XY, XIAO XY, LI Y, CHEN JY, WANG HL

Implanting Ru nanoclusters into N-doped graphene for efficient alkaline hydrogen evolution

CARBON

LI Y, LUO YT, ZHANG ZY, YU QM, LI C, ZHANG Q, ZHENG Z, LIU HK, LIU BL, DOU SX

Density functional theory study of single Ni atom decorated N-doped graphene for high performance H2S sensor

CHEMICAL PHYSICS LETTERS

LI Y, YANG YY, LI K, WANG YW, NING P, SUN X

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