Chaoyu He

Shanghai University — China

Materials Science · Physical Sciences

33h-index3.8kcitations206works3.52yr avg
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Research Topics

2D Materials and Applications(92), Graphene research and applications(90), MXene and MAX Phase Materials(50), Boron and Carbon Nanomaterials Research(37), Advanced Thermoelectric Materials and Devices(35)

Publications206 total

Spin-triplet Ga-vacancy defects in two-dimensional GaN: A platform for solid-state qubits
Physical review. B./Physical review. B·2026
First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface
Physical Chemistry Chemical Physics·2026
Enhanced excitonic absorption and emergence of interlayer bright excitons via sliding ferroelectricity in Janus bilayer MoSeTe
Physical review. B./Physical review. B·2025
Ultralow Lattice Thermal Conductivity Induced by Unique Hierarchical Rotational Dynamics in Lightweight Cyanide‐Bridged Framework Materials
Advanced Functional Materials·2025
Giant ferroelectric polarization and multiferroicity of two-dimensional hydrofluorinated SiC
Journal of Applied Physics·2025Open Access
Designing flat-band materials through compact localized state clusters
Physical review. B./Physical review. B·2025· 1 cited
The thermal transport properties of monolayer BiOsO3: The role of spin–orbit coupling and magnetic anisotropy
Applied Physics Letters·2025· 1 cited
Notable impact of magnetic order and flat phonon mode on the thermal transport properties of 2D magnetic semiconductor CrSBr
Journal of Applied Physics·2025Open Access
Prediction of Room Temperature Ferroelectricity in Subnano Silicon Thin Films with an Antiferroelectric Ground State
Physical Review Letters·2025· 3 cited
Weak <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>s</mml:mi><mml:mtext>−</mml:mtext><mml:mi>d</mml:mi></mml:mrow></mml:math> orbital bonding induces strong phonon anharmonicity and unconventional mass-dependent behavior of lattice thermal conductivity in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CaTiF</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:math>
Physical Review Materials·2025· 2 cited
Modulation of the first-bright excitonic state in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mrow><mml:mi>Mo</mml:mi><mml:mi mathvariant="italic">XY</mml:mi></mml:mrow><mml:msub><mml:mi mathvariant="normal">N</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow><mml:mo>/</mml:mo><mml:mrow><mml:mrow><mml:mi mathvariant="normal">W</mml:mi><mml:mi mathvariant="italic">XY</mml:mi></mml:mrow><mml:msub><mml:mi mathvariant="normal">N</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>(</mml:mo><mml:mi>X</mml:mi><mml:mo>,</mml:mo><mml:mo> </mml:mo><mml:mi>Y</mml:mi><mml:mo>=</mml:mo><mml:mi>Si</mml:mi><mml:mo>,</mml:mo><mml:mo> </mml:mo><mml:mi>Ge</mml:mi><mml:mo>)</mml:mo></mml:math> Janus heterobilayers
Physical review. B./Physical review. B·2025· 1 cited
Phonon thermal transport in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mi>M</mml:mi> <mml:mi>Te</mml:mi> <mml:msub> <mml:mi>X</mml:mi> <mml:mn>4</mml:mn> </mml:msub> </mml:math> ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mi>M</mml:mi> </mml:math> = Zr, Hf; <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mi>X</mml:mi> </mml:math> = S, Se) monolayers: Role of antibonding states and higher-order phonon anharmonicity
Physical Review Applied·2025· 1 cited
Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs
IUCrJ·2025· 1 citedOpen Access
Complete catalog of 1:2:1 B/C/N distribution in diamond supercells
Physical review. B./Physical review. B·2025
Size Effects on the Electronic and Mechanical Properties of Diamond‐XII: A Machine Learning Potential Study
physica status solidi (RRL) - Rapid Research Letters·2025
Tunable layer-polarized anomalous Hall effect in two-dimensional 3R-GdBrI bilayer
Applied Physics Letters·2025· 1 cited
Natural and intrinsic vacancies in two-dimensional g-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">C</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">N</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> for trapping isolated B and C atoms as color centers
Physical review. B./Physical review. B·2025· 1 cited
Thermoelectric properties of two-dimensional Janus penta-PdXY (XY = SeTe, SSe, or STe) monolayers: Electron–phonon averaged approximation studies
Journal of Applied Physics·2025· 5 citedOpen Access
Polarization flip induced phonon branch decoupling and significant suppression of thermal transport behavior in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>α</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi mathvariant="normal">In</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">Se</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
Physical review. B./Physical review. B·2025· 7 cited
Sub-5.1nm Schottky field-effect transistor based on <i>γ</i>-GeSe
Journal of Physics D Applied Physics·2025· 1 cited
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Frequent Co-authors

Jianxin Zhong(41), Jin Li(30), Chao Tang(29), Chunxiao Zhang(28), Tao Ouyang(25), Xizhi Shi(8), Lizhong Sun(7), Xiangyang Peng(7), Xiang Qi(6), Kaiwang Zhang(5), Guolin Hao(5), Zongyu Huang(5), Mingxing Chen(5), Chunfeng Cui(4), Chris J. Pickard(3), Huaping Xiao(3), Lijun Meng(3), Xue Lin(3), Zhunyun Tang(3), Xiaoxia Wang(3)