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List of works by Xiaofeng Qian

Accelerating GW calculations with optimal polarizability basis

All-nanoparticle layer-by-layer coatings for Mid-IR on-chip gas sensing

scientific article published on 01 November 2020

Bandgap engineering of rippled MoS2 monolayer under external electric field

Calculating phase-coherent quantum transport in nanoelectronics with ab initio quasiatomic orbital basis set

scholarly article in Physical Review B, vol. 82 no. 19, November 2010

Computing the viscosity of supercooled liquids

scientific article published in June 2009

Computing the viscosity of supercooled liquids. II. Silica and strong-fragile crossover behavior

scientific article published on 01 October 2009

Computing the viscosity of supercooled liquids: Markov Network model

scientific article (publication date: 25 March 2011)

Correlations and incipient antiferromagnetic order within the linear Mn chains of metallic TiMnBi

Crystal field effect induced topological crystalline insulators in monolayer IV-VI semiconductors. ⬇️

scientific article published on 9 March 2015

Direct observation of metal-insulator transition in single-crystalline germanium telluride nanowire memory devices prior to amorphization.

scientific article published on 19 March 2014

Effect of twin boundaries and structural polytypes on electron transport in GaAs

article by Xiaofeng Qian et al published October 2015 in Computational Materials Science

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

Envelope function method for electrons in slowly-varying inhomogeneously deformed crystals ⬇️

scientific article published in November 2014

Fast kinetics of magnesium monochloride cations in interlayer-expanded titanium disulfide for magnesium rechargeable batteries.

scientific article published on 24 August 2017

Ferroicity-driven nonlinear photocurrent switching in time-reversal invariant ferroic materials

scientific article published on 16 August 2019

First-principles investigation of organic photovoltaic materialsC60, C70, [C60]PCBM, and bis-[C60]PCBMusing a many-bodyG0W0-Lanczos approach ⬇️

scholarly article in Physical Review B, vol. 91 no. 24, June 2015

Giant Optical Second Harmonic Generation in Two-Dimensional Multiferroics

scientific article published on 3 July 2017

Imaging the Néel vector switching in the monolayer antiferromagnet MnPSe3 with strain-controlled Ising order

In situ observation of random solid solution zone in LiFePO₄ electrode.

scientific article

Lifshitz Transitions Induced by Temperature and Surface Doping in Type-II Weyl Semimetal Candidate T d -WTe2

Light-Induced Activation of Forbidden Exciton Transition in Strongly Confined Perovskite Quantum Dots

scientific article published on 12 December 2018

Lithiation-induced embrittlement of multiwalled carbon nanotubes

scientific article

Modelling of stacked 2D materials and devices

Nanowire liquid pumps

scientific article published on 31 March 2013

Near Neutrality of an Oxygen Molecule Adsorbed on a Pt(111) Surface

scientific article published on 30 September 2008

Optoelectronic crystal of artificial atoms in strain-textured molybdenum disulphide

scientific article

Patterning of graphene

scientific article published on 06 July 2012

Photocarrier-Induced Active Control of Second-Order Optical Nonlinearity in Monolayer MoS2

scientific article published on 14 January 2020

Photoelectron properties of DNA and RNA bases from many-body perturbation theory

scholarly article in Physical Review B, vol. 84 no. 7, August 2011

Plasmonic-Enhanced Oxygen Reduction Reaction of Silver/Graphene Electrocatalysts

scientific article published on 14 January 2019

Quantum spin Hall effect in two-dimensional transition metal dichalcogenides

scientific article published on 20 November 2014

Quasiatomic orbitals for ab initio tight-binding analysis

scholarly article in Physical Review B, vol. 78 no. 24, December 2008

Ripplocations in van der Waals layers.

scientific article

Room temperature stable CO x -free H2 production from methanol with magnesium oxide nanophotocatalysts

scientific article

Strain-Engineering of Band Gaps in Piezoelectric Boron Nitride Nanoribbons

scientific article published on 27 February 2012

Strain-engineered artificial atom as a broad-spectrum solar energy funnel

Stress-driven crystallization via shear-diffusion transformations in a metallic glass at very low temperatures

scholarly article in Physical Review B, vol. 91 no. 21, June 2015

Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction

scholarly article in Physical Review B, vol. 73 no. 3, January 2006

Topological crystalline insulator nanomembrane with strain-tunable band gap ⬇️

Tunable Quasi-One-Dimensional Ribbon Enhanced Light Absorption in Sb2 Se3 Thin-film Solar Cells Grown by Close-Space Sublimation

Tunable exciton funnel using Moiré superlattice in twisted van der Waals bilayer.

scientific article published on 19 August 2014

Two-dimensional multiferroic semiconductors with coexisting ferroelectricity and ferromagnetism

article published in 2018

Two-dimensional multiferroics in monolayer group IV monochalcogenides

Unconventional two-dimensional germanium dichalcogenides.

scientific article published on 11 April 2018

van der Waals Stacking-Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides.

scientific article

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