First Principles Study of Graphene - Related Materials

First Principles Study of Graphene - Related Materials

Ph.D

Saved in:

Bibliographic Details
Main Author:	YEO PEI SHAN EMMELINE
Other Authors:	NUS GRAD SCH FOR INTEGRATIVE SCI & ENGG
Format:	Theses and Dissertations
Language:	English
Published:	2014
Subjects:	graphene, first principles, density-functional theory, synthesis, applications
Online Access:	http://scholarbank.nus.edu.sg/handle/10635/53645
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	National University of Singapore
Language:	English

Similar Items

First-Principles Investigation on Transport Properties of Graphene-Based Systems
by: ZENG MINGGANG
Published: (2012)

First-principles exploration for half metallic materials
by: WU RONGQIN
Published: (2011)

Lithium-Nitrogen Based Compound as Lithium Ionic Conductor and Chemical Hydride for Hydrogen Storage: Experimental and First-Principles Investigation
by: LI WEN
Published: (2012)

MECHANICAL AND OPTICAL PROPERTIES OF EMERGING TWO-DIMENSIONAL MATERIALS FROM FIRST PRINCIPLES
by: WU YAZE
Published: (2021)

NOVEL CHEMISTRY AND PHYSICS IN LOW DIMENSIONAL SYSTEMS FROM FIRST PRINCIPLES
by: XI YONGJIE
Published: (2016)

First principle modeling of alcohol fuel cell catalysis
by: TRINH QUANG THANG
Published: (2014)

First-principles simulations of nanomaterials for nanoelectronics and spintronics
by: CAI YONGQING
Published: (2012)

First-principles study of the effect of Bi Ga heteroantisites in GaAs:Bi alloy
by: Li, D., et al.
Published: (2014)

In search of new reconstructions of (001) ?-quartz surface: A first principles study
by: Malyi, O.I, et al.
Published: (2020)

First Principles Study on Surface Modification of Antimony Doped Tin Dioxide Nanoparticles
by: MONG YU SIANG
Published: (2013)

Density-functional theory study of small Fe, Co, Ni and Pt clusters on graphene
by: HARMAN DEV SINGH JOHLL
Published: (2010)

Graphene with line defect as a membrane for gas separation: Design via a first-principles modeling
by: Qin, X., et al.
Published: (2014)

First-principles study on new media/memory materials and design concept for nonvolatile data storage
by: Shen, L., et al.
Published: (2014)

OPTIMIZATION AND DISCOVERY OF POSITIVE ELECTRODE MATERIALS BEYOND LITHIUM-ION BATTERIES WITH FIRST-PRINCIPLES MULTISCALE TECHNIQUES
by: WANG ZILIANG
Published: (2023)

First-principles based kinetic model for the hydrogenation of toluene
by: Saeys, M., et al.
Published: (2014)

Theoretical Understanding and Material Design towards Next-generation Data Storage Devices
by: BAI ZHAOQIANG
Published: (2014)

First-principles study of carbon nanotubes with bamboo-shape and pentagon-pentagon fusion defects
by: Lim, S.H., et al.
Published: (2014)

2D materials for nanoelectronics: A first-principles investigation
by: WU QINGYUN
Published: (2015)

FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS
by: LINGHU JIAJUN
Published: (2018)

Exploring the charge localization and band gap opening of borophene: A first-principles study
by: Kistanov, A.A, et al.
Published: (2020)

Diamond-graphene surface and interfacial adsorption studies
by: HOH HUI YING
Published: (2010)

STEADY-STATE DENSITY FUNCTIONAL THEORY FOR NON-EQUILIBRIUM QUANTUM SYSTEMS
by: LIU SHUANGLONG
Published: (2015)

Strain effects on enhanced hydrogen sulphide detection capability of Ag-decorated defective Graphene: A first-principles investigation
by: Qin, X., et al.
Published: (2014)

Vibrational and dielectric properties of magnesium aluminate spinel: A first-principles study
by: Zeng, Q., et al.
Published: (2014)

Charge-traps, thermal stability and water-uptakes of CaSiO3/EP and SiO2/EP nanocomposites from molecular simulations and first-principles calculations
by: Zhang, Yanyan, et al.
Published: (2024)

Hydrogen adsorption on and diffusion through MoS2 monolayer: First-principles study
by: Keong Koh, E.W., et al.
Published: (2014)

Elemental Substitution in Lead Zirconate Titanate: A Combined Density Functional Theory and Experimental Method
by: ZHANG ZHEN
Published: (2010)

First principles calculation on bonding of PT-Fe overlayer and its effects on PT-surface reactivity
by: Escaño, Mary Clare Sison
Published: (2008)

Phase stability of magnesium-rare earth binary systems from first-principles calculations
by: Tao, X., et al.
Published: (2014)

FIRST-PRINCIPLES CALCULATIONS OF 2D MAGNETIC MATERIALS AND THEIR HETEROSTRUCTURES
by: XU RUNRUN
Published: (2020)

First-principles study of heat transport properties of graphene nanoribbons
by: Tan, Z.W., et al.
Published: (2014)

Accelerated synthesis of graphene oxide from graphene
by: Costa, Mariana C. F., et al.
Published: (2022)

ATOMIC SCALE STUDY OF TWO-DIMENSIONAL MATERIALS BY SCANNING TUNNELING MICROSCOPY AND FIRST-PRINCIPLES CALCULATIONS
by: ZHENG YUJIE
Published: (2017)

FIRST-PRINCIPLES INVESTIGATION ON SPIN-ORBIT COUPLING INDUCED TOPOLOGICAL PHASE TRANSITION
by: LUO YONGZHENG
Published: (2018)

First principle study on copper passivated armchair graphene nanoribbon for a supercapacitor electrode material
by: Paz, Kyle Alfred C.
Published: (2022)

First-principles calculations of mechanical and thermodynamic properties of the Laves C15-Mg2RE (RE = La, Ce, Pr, Nd, Pm, Sm, Gd)
by: Ouyang, Y., et al.
Published: (2014)

Investigation of properties in barium chalcogenides from first-principles calculations
by: LIN GUOQING
Published: (2010)

Raman scattering and first-principles analysis of Ge nanostructure, h-BN and KIO3
by: LIU LEI
Published: (2010)

FIRST-PRINCIPLES INVESTIGATIONS ON ELECTROCHEMICAL CATALYSTS FOR CARBON-FREE ENERGY FUELS
by: YANG TONG
Published: (2021)

AB INITIO DESIGN AND UNDERSTANDING OF HETEROGENEOUS CATALYSTS
by: YAM KAH MENG
Published: (2021)