国家/地区 China（14）
关键词 DFT CALCULATION（14）
出版物 CHEMOSPHERE（2）
出版时间 2023（14）
机构
作者

Accelerating Density Functional Calculation of Adatom Adsorption on Graphene via Machine Learning

MATERIALS

QU N, CHEN M, LIAO MQ, CHENG Y, LAI ZH, ZHOU F, ZHU JC, LIU Y, ZHANG L

Ultra-fast Piezocatalysts Enabled By Interfacial Interaction of Reduced Graphene Oxide/MoS2 Heterostructures

ADVANCED MATERIALS

SHEN PF, YIN P, ZOU YT, LI M, ZHANG NQ, TAN D, ZHAO HY, LI QJ, YANG RS, ZOU B, LIU BB

Insight into the dynamic adsorption behavior of graphene oxide multichannel architecture toward contaminants

CHINESE JOURNAL OF CHEMICAL ENGINEERING

TIAN J, LI G, HE W, TAN KB, SUN DH, WEI JF, LI QB

Comprehensive Mechanism for CO Electroreduction on Dual-Atom-Catalyst-Anchored N-Doped Graphene

CHEMPHYSCHEM

LIU D, ZHAO J, KONG YC, AI HQ, BAI HY, LEONG CC, LO KH, WANG SP, IP WF, LIN S, PAN H

Understanding the direct methane conversion to oxygenates on graphene-supported single 3d metal atom catalysts

CHEMICAL PAPERS

BAHRI L, MBARKI F, HARRATH K

Reduced graphene oxide/graphitic carbon nitride composite for piezocatalysis and piezocatalytic activation of persulfate to degrade sulfamethoxazole

JOURNAL OF WATER PROCESS ENGINEERING

TIAN YC, SUI MH, LV YN, LV XY

Modulating interfacial charge density of FeCo oxyhydroxides via coupling with graphene oxide aerogel for boosting oxygen evolution reaction

JOURNAL OF ALLOYS COMPOUNDS

TAI JX, BI YP, NI CS, WU XD, KOUDAMA TD, CUI S, SHEN XD, CHEN XB

Compression-tolerant supercapacitor based on NiCo2O4/Ti3C2Tx MXene/reduced graphene oxide composite aerogel with insights from density functional theory simulations

JOURNAL OF COLLOID INTERFACE SCIENCE

ZHANG MZ, JIANG DG, JIN FH, SUN YS, WANG JH, JIANG MY, CAO JY, ZHANG B, LIU JQ

Adsorption of amphetamine on deep eutectic solvents functionalized graphene oxide/metal-organic framework nanocomposite: Elucidation of hydrogen bonding and DFT studies

CHEMOSPHERE

LIU YJ, CAO SR, LIU ZH, WU DH, LUO MN, CHEN ZQ

Computational investigations on the 4-cyanopyridine adsorbed on ZnO-graphene oxide nanocomposite toward the efficient performance of surface-enhanced Raman scattering

DIAMOND RELATED MATERIALS

ZHANG Q, YANG R, LI J, PANG CX, CHEN BW