国家/地区 Usa（5）
关键词 DFT（5）
出版物
出版时间 2022（5）
机构
作者

Determination of Graphene Migration Single Defect Site and Its Electronic Structure with Various Sizes

JOURNAL OF NANOELECTRONICS OPTOELECTRONICS

MAO ZJ

Boron adatom adsorption on graphene: A case study in computational chemistry methods for surface interactions

FRONTIERS IN PHYSICS

JUBIN S, RAU A, BARSUKOV Y, ETHIER S, KAGANOVICH I

Mechanisms for Graphene Growth on SiO2 Using Plasma-Enhanced Chemical Vapor Deposition: A Density Functional Theory Study

ACS APPLIED MATERIALS INTERFACES

LONGO RC, UEDA H, CHO K, RANJAN A, VENTZEK PLG

Mechanism of ozone adsorption and activation on B-, N-, P-, and Si-doped graphene: A DFT study

CHEMICAL ENGINEERING JOURNAL

YU GF, XIE YB, GE QF, DAI Q, XU J, CAO HB

Developing Potential Energy Surfaces for Graphene-Based 2D-3D Interfaces From Modified High-Dimensional Neural Networks for Applications in Energy Storage

JOURNAL OF ELECTROCHEMICAL ENERGY CONVERSION STORAGE

SHARMA V, DATTA D