国家/地区 China（20）
关键词 DENSITY FUNCTIONAL .（3） DEFECTIVE GRAPHENE（2） GRAPHENE（2）
MOLECULAR DYNAMICS .（2） NITROGEN REDUCTION（2） SINGLEATOM CATALYST（2）
出版物 JOURNAL OF PHYSICAL.（5） JOURNAL OF CHEMICAL.（3） APPLIED SURFACE SCI.（2）
ELECTROCHIMICA ACTA（2）
出版时间 2015（3） 2019（3） 2011（2） 2016（2） 2018（2） 2020（2） 2021（2） 2022（2）
机构 FUZHOU UNIV（5） BEIJING UNIV.（4） CITY UNIV HO.（2） NANKAI UNIV（2）
作者 HUANG SP（21）

Density Functional Theory Study of Single-Atom V, Nb, and Ta Catalysts on Graphene and Carbon Nitride for Selective Nitrogen Reduction

ACS APPLIED NANO MATERIALS

REN CJ, JIANG QY, LIN W, ZHANG YF, HUANG SP, DING KN

First-principles study of MoSSe_graphene heterostructures as anode for Li-ion batteries

CHEMICAL PHYSICS

ZHOU SH, ZHANG J, REN ZZ, GU JF, REN YR, HUANG SP, LIN W, LI Y, ZHANG YF, CHEN WK

BC2N/Graphene Heterostructure as a Promising Anode Material for Rechargeable Li-Ion Batteries by Density Functional Calculations

JOURNAL OF PHYSICAL CHEMISTRY C

ZHANG J, ZHANG YF, HUANG SP, LIN W, CHEN WK

Whether Corrugated or Planar Vacancy Graphene-like Carbon Nitride (g-C3N4) Is More Effective for Nitrogen Reduction Reaction?

JOURNAL OF PHYSICAL CHEMISTRY C

REN CJ, ZHANG YL, LI YL, ZHANG YF, HUANG SP, LIN W, DING KN

Phthalocyanine and Metal Phthalocyanines Adsorbed on Graphene: A Density Functional Study

JOURNAL OF PHYSICAL CHEMISTRY C

FENG SQ, LUO NJ, TANG AW, CHEN WJ, ZHANG YF, HUANG SP, DOU WD

Tuning nitrogen reduction reaction activity via controllable Fe magnetic moment: A computational study of single Fe atom supported on defective graphene

ELECTROCHIMICA ACTA

GUO XY, HUANG SP

Single Ru atom supported on defective graphene for water splitting: DFT and microkinetic investigation

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

GUO XY, LIU SG, HUANG SP

Field-Emission Mechanism of Island-Shaped Graphene-BN Nanocomposite

JOURNAL OF PHYSICAL CHEMISTRY C

ZHANG SL, ZHANG YH, HUANG SP, QIAO L, YU SS, ZHENG WT

Molecule-substrate interaction channels of metal-phthalocyanines on graphene on Ni(111) surface

JOURNAL OF CHEMICAL PHYSICS

DOU WD, HUANG SP, ZHANG RQ, LEE CS

First-Principles Study of Field Emission Properties of Graphene-ZnO Nanocomposite

JOURNAL OF PHYSICAL CHEMISTRY C

ZHANG SL, ZHANG YH, HUANG SP, LIU H, WANG P, TIAN HP