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Theoretical insights into the ultrahigh piezoelectric performance of (BiFeO3)n/(BaTiO3)n (n = 1–5) superlattices

Journal of applied physics, 2024-10, Vol.136 (16)

2024

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Phase stability and mechanical properties of tungsten borides from first principles calculations

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (40), p.13158-13165

2010

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Electronic and mechanical properties of 5d transition metal mononitrides via first principles

Journal of solid state chemistry, 2008-10, Vol.181 (10), p.2814-2827

2008

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Prediction of NbTaTiZr-based high-entropy alloys with high strength or ductility: First-principles calculations

Journal of materials research and technology, 2024-05, Vol.30, p.8854-8861

2024

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First-principles calculation and experimental study on the effect of rare earth Ce and Nd on the corrosion behavior of Mg alloys

Materials research express, 2023-02, Vol.10 (2), p.26513

2023

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Structural, mechanical and electronic properties of 4d transition metal mononitrides by first-principles

Computational materials science, 2010-02, Vol.47 (4), p.1064-1071

2010

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Phase stability and mechanical properties of ruthenium borides from first principles calculations

Computational materials science, 2014-12, Vol.95, p.377-383

2014

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Structural, electronic and mechanical properties of ReN2 from first principles

Computational materials science, 2008-12, Vol.44 (2), p.531-535

2008

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Displacive phase transition, structural basic solid state physics stability, and mechanical properties of the ultra-incompressible and hard MoN by first principles

Physica status solidi. B. Basic research, 2010-05, Vol.247 (5), p.1207-1213

2010

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Structural stability and electronic properties of CO2N, Rh2N and Ir2N

The Journal of physics and chemistry of solids, 2008-11, Vol.69 (11), p.2723-2727

2008

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Ab initio study on the electronic and mechanical properties of ReB and ReC

Journal of solid state chemistry, 2009-04, Vol.182 (4), p.960-965

2009

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Influence of Eu, Gd and Lu dopants on the properties of TiO2: A first-principles study

Solid state communications, 2024-10, Vol.389, p.115586, Article 115586

2024

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First principles investigation on the structural, mechanical and electronic properties of OsC2

Computational materials science, 2009-10, Vol.46 (4), p.1098-1101

2009

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Microgalvanic corrosion mechanism of the rare-earth phase in Mg binary alloys through first-principles calculation

Surface science, 2023-03, Vol.729, p.122211, Article 122211

2023

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First‐Principles Study on the Effects of Different Valence H i and V O on the Mobility, Conductivity, and Carrier Lifetime of β‐Ga 2 O 3 : Mo 5+/6

physica status solidi (b), 2024-07

2024

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Theoretical insights on the reaction pathways for oxygen reduction reaction on phosphorus doped graphene

Carbon (New York), 2016-08, Vol.105, p.214-223

2016

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Excellent p-type conductivity of β-CsPbI3 with defect Pb vacancy: First-principles

Computational materials science, 2024-03, Vol.237, p.112887, Article 112887

2024

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Prediction of new high pressure phase of TaB3: First-principles

Journal of alloys and compounds, 2015-05, Vol.632, p.37-43

2015

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First-principles calculation for mechanical properties of TiZrHfNbTa series refractory high-entropy alloys

Materials today communications, 2024-08, Vol.40, p.110165, Article 110165

2024

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Whole-genome resequencing reveals the uniqueness of Subei yak

Journal of animal science, 2024-06, Vol.102

2024

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New predicted ground state and high pressure phases of TcB3 and TcB4: First-principles

Computational materials science, 2018-03, Vol.144, p.154-160

2018

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Prediction of a superhard high-pressure phase for CN: First-principles

Modern physics letters. B, Condensed matter physics, statistical physics, applied physics, 2022-10, Vol.36 (25)

2022

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Theoretical insights on the reaction pathways of the oxygen reduction reaction on yttrium doped graphene as a catalyst in fuel cells

Synthetic metals, 2017-10, Vol.232, p.131-137

2017

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A direct four-electron process on Fe-N3 doped graphene for the oxygen reduction reaction: a theoretical perspective

RSC advances, 2017-04, Vol.7 (38), p.23812-23819

2017

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A direct four-electron process on Fe–N 3 doped graphene for the oxygen reduction reaction: a theoretical perspective

RSC advances, 2017, Vol.7 (38), p.23812-23819

2017

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Theoretical insights into the ultrahigh piezoelectric performance of (BiFeO3)n/(BaTiO3)n (n = 1–5) superlattices

Phase stability and mechanical properties of tungsten borides from first principles calculations

Electronic and mechanical properties of 5d transition metal mononitrides via first principles

Prediction of NbTaTiZr-based high-entropy alloys with high strength or ductility: First-principles calculations

First-principles calculation and experimental study on the effect of rare earth Ce and Nd on the corrosion behavior of Mg alloys

Structural, mechanical and electronic properties of 4d transition metal mononitrides by first-principles

Phase stability and mechanical properties of ruthenium borides from first principles calculations

Structural, electronic and mechanical properties of ReN2 from first principles

Displacive phase transition, structural basic solid state physics stability, and mechanical properties of the ultra-incompressible and hard MoN by first principles

Structural stability and electronic properties of CO2N, Rh2N and Ir2N

Ab initio study on the electronic and mechanical properties of ReB and ReC

Influence of Eu, Gd and Lu dopants on the properties of TiO2: A first-principles study

First principles investigation on the structural, mechanical and electronic properties of OsC2

Microgalvanic corrosion mechanism of the rare-earth phase in Mg binary alloys through first-principles calculation

First‐Principles Study on the Effects of Different Valence H i and V O on the Mobility, Conductivity, and Carrier Lifetime of β‐Ga 2 O 3 : Mo 5+/6

Theoretical insights on the reaction pathways for oxygen reduction reaction on phosphorus doped graphene

Excellent p-type conductivity of β-CsPbI3 with defect Pb vacancy: First-principles

Prediction of new high pressure phase of TaB3: First-principles

First-principles calculation for mechanical properties of TiZrHfNbTa series refractory high-entropy alloys

Whole-genome resequencing reveals the uniqueness of Subei yak

New predicted ground state and high pressure phases of TcB3 and TcB4: First-principles

Prediction of a superhard high-pressure phase for CN: First-principles

Theoretical insights on the reaction pathways of the oxygen reduction reaction on yttrium doped graphene as a catalyst in fuel cells

A direct four-electron process on Fe-N3 doped graphene for the oxygen reduction reaction: a theoretical perspective

A direct four-electron process on Fe–N 3 doped graphene for the oxygen reduction reaction: a theoretical perspective

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