Search filters

List of works by Fei Gao

"H₂ sponge": pressure as a means for reversible high-capacity hydrogen storage in nanoporous Ca-intercalated covalent organic frameworks

scientific article published on 01 April 2015

A first-principles study of the structural, mechanical and electronic properties of precipitates of Al2Cu in Al-Cu alloys.

scientific article published on 12 December 2017

Ab initio study of stability and migration of H and He in hcp-Sc

scientific article published on 05 January 2011

Atomistic Conversion Reaction Mechanism of WO3 in Secondary Ion Batteries of Li, Na, and Ca.

scientific article published on 13 April 2016

Charge separation in wurtzite/zinc-blende heterojunction GaN nanowires.

scientific article

Conflicting Roles of Nickel in Controlling Cathode Performance in Lithium Ion Batteries

scientific article published on 19 September 2012

Dislocation mechanism of deuterium retention in tungsten under plasma implantation

scientific article published on 20 August 2014

Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface

scientific article

Electronic and magnetic properties of C-adsorbed graphene: a first-principles study

scientific article published on 17 August 2011

Electronic and magnetic properties of metal-doped BN sheet: A first-principles study

scientific article published on 07 June 2010

Electronic and magnetic properties of substituted BN sheets: a density functional theory study

scientific article published on 21 March 2011

Electronic structures and magnetic properties of MoS2 nanostructures: atomic defects, nanoholes, nanodots and antidots

scientific article published on 17 May 2013

Embedded-atom method potential for modeling hydrogen and hydrogen-defect interaction in tungsten

scientific article

Energetics of defects on graphene through fluorination

scientific article published on 12 February 2014

Energetics of vacancy segregation to [100] symmetric tilt grain boundaries in bcc tungsten

scientific article

Enhanced Radiation-tolerant Oxide Dispersion Strengthened Steel and its Microstructure Evolution under Helium-implantation and Heavy-ion Irradiation

scientific article (publication date: 12 January 2017)

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

scientific article

Evidencing the existence of exciting half-metallicity in two-dimensional TiCl3 and VCl3 sheets

scientific article

Evidencing the existence of intrinsic half-metallicity and ferromagnetism in zigzag gallium sulfide nanoribbons

scientific article published on 22 July 2014

Evolution of lattice structure and chemical composition of the surface reconstruction layer in Li(1.2)Ni(0.2)Mn(0.6)O2 cathode material for lithium ion batteries

scientific article

First-principles study of the electronic properties of wurtzite, zinc-blende, and twinned InP nanowires.

scientific article published on 23 November 2010

Grain boundary resistance to amorphization of nanocrystalline silicon carbide.

scientific article

In situ TEM investigation of congruent phase transition and structural evolution of nanostructured silicon/carbon anode for lithium ion batteries

scientific article published on 06 March 2012

In situnitrogen-doped graphene grown from polydimethylsiloxane by plasma enhanced chemical vapor deposition

scientific article published on 03 December 2012

Interplay between intrinsic point defects and low-angle grain boundary in bcc tungsten: effects of local stress field

scientific article published on 05 June 2015

Lewis Acid–Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries

article

Long-time atomistic dynamics through a new self-adaptive accelerated molecular dynamics method

scientific article published on 6 January 2017

Oxygen-induced magnetic properties and metallic behavior of a BN sheet

scientific article published on 04 November 2010

Pressure effect on stabilities of self-interstitials in HCP-zirconium

scientific article

Proton irradiation of graphene: insights from atomistic modeling

scientific article published on 25 October 2019

Revealing reaction mechanisms of nanoconfined Li2S: implications for lithium-sulfur batteries

scientific article published on 23 April 2018

Shear-coupled grain boundary migration assisted by unusual atomic shuffling

scientific article (publication date: 24 March 2016)

Spontaneous ripple formation in phosphorene: electronic properties and possible applications.

scientific article published on 26 May 2016

Structural evolution of NiAu nanoparticles under ambient conditions directly revealed by atom-resolved imaging combined with DFT simulation

scientific article published on 01 November 2014

Tensile strain switched ferromagnetism in layered NbS2 and NbSe2

scientific article published on 22 October 2012

Theoretical prediction of LiScO2 nanosheets as a cathode material for Li-O2 batteries

scientific article published on 01 August 2018

Three-dimensional metal-intercalated covalent organic frameworks for near-ambient energy storage

scientific article (publication date: 2013)

Threshold displacement energies and defect formation energies in Y2Ti2O7

scientific article published on 27 September 2010

Zirconate pyrochlores under high pressure

scientific article published on 18 August 2010

Paulina is supported by:

About Paulina

Help