Hui Zhao

发表

First-principles studies on electronic structures of superatomic compounds [Co6Se8(PMe3)6][C60] in several cubic structures

Shengjie Dong, Yi-Lin Lu, Jiesen Li, 2019 .

First-principles and Monte Carlo studies on the magnetic stability of half-metallic zinc-blende CaC and similar compounds

C. Duan, Ping Wu, Shengjie Dong, 2015 .

Correlation-induced metal-insulator transitions in d0 magnetic superlattices based on alkaline-earth monoxides: Insights from ab initio calculations

Ping Wu, Shengjie Dong, Yi-Lin Lu, 2015 .

Can binary sp half-metallic ferromagnets maintain half-metallicity when they form superlattices? A first-principles approach

Shengjie Dong, Hui Zhao, Xiao-Sheng Song, 2014 .

Oleanolic acid and ursolic acid as potential inhibitors of human salivary α-amylase: insights from in vitro assays and in silico simulations

Wenyuan Gao, Jiachen Sun, Shengjie Dong, 2017, Journal of Molecular Modeling.

First-Principles Study on Energy Property and Stability of Y3Al5O12 Crystal

Yi Fei Chen, Q. Song, Hui Zhao, 2013 .

Understanding the photocatalytic mechanisms of the BiOI/Bi2MoO6 and BiOCl/Bi2MoO6 heterostructures: First-principles study

Guoli Zhou, Huiyuan Sun, Z. Tian, 2020 .

Vegetation and climate change during Marine Isotope Stage 3 in China

U. Herzschuh, Zicheng Yu, Bao Yang, 2014 .

Hydrogen storage capacity on Li-decorated covalent organic framework-1: A first-principles study

Cuixia Yan, R. Du, Hui Zhao, 2020, Materials Research Express.

First-Principles Studies on d0 Magnetism in Zinc-Blende IV-IV Compounds-Based Short-Period Heterostructures (SiC)1/(KC)1, (GeC)1/(KC)1, (SiC)1/(CaC)1, and (GeC)1/(CaC)1

Shengjie Dong, Liefeng Feng, Baozeng Zhou, 2017 .

Effect of electron and hole doping on magnetic properties of zinc-blende SrC and BaC from first principles

Shengjie Dong, Hui Zhao, 2012 .

Fibrous red phosphorene: a promising two-dimensional optoelectronic and photocatalytic material with a desirable band gap and high carrier mobility.

Shengjie Dong, Lu Wang, Yi-Lin Lu, 2020, Physical chemistry chemical physics : PCCP.

Semiconducting antiferromagnetism in MgH2 doped with 3d transition metals: A first-principles view

Wei Zhou, Shengjie Dong, Yi-Lin Lu, 2017 .

Effect of High Pressure on Magnetic Properties of C Doped Alkaline-Earth Oxides

Yi-Lin Lu, Hui Zhao, 2012 .

First-Principles Study on Structure and Stability of YAP Crystal

Huiyu Yan, Yi Fei Chen, Q. Song, 2011 .

The Structural Stabilities and Electronic Properties of Orthorhombic and Rhombohedral LaCrO3 — A First-Principles Study

T. Wei, Q. Song, Lingling Song, 2012 .

First-principles study of electronic and optical properties of Sr2ZnN2 under pressure

Hui Zhao, K. Liang, 2016 .

The Studies of ScB2 (0001) Surfaces from the First-Principles

Hui Zhao, Q. Han, 2014, CIT 2014.

The stability boundary of group-III transition metal diboride ScB2 (0 0 0 1) surfaces

Hui Zhao, Na Qin, 2012 .

First-principles studies for the stability of a graphene-like boron layer on CrB2(0001) and MoB2(0001)

Zhen Li, Sanwu Wang, Hui Zhao, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Ab initio identification of two-dimensional square-octagonal bismuthene doped with 3d transition metals as potential spin gapless semiconductor, bipolar magnetic semiconductor, and quantum anomalous Hall insulator

Shengjie Dong, Lu Wang, Yi-Lin Lu, 2021 .

First‐principles and molecular dynamics studies on structural, electronic, and magnetic characteristics of (CaC)1/(SiC)1 and (KC)1/(SiC)1 in wurtzite structure

Shengjie Dong, Yi-Lin Lu, Baozeng Zhou, 2016 .

First-principles Studies on Electronic and Magnetic Properties of IA–IIIA and IA–IVA Compounds with Zinc-Blende and Wurtzite Structures

Shengjie Dong, Yangyang Song, Hui Zhao, 2014, Journal of Superconductivity and Novel Magnetism.

First-principles studies of phase transition and structural stability of SrC2 under pressure

Yi-Lin Lu, Hui Zhao, 2014 .

First-Principles Forecast of Gapless Half-Metallic and Spin-Gapless Semiconducting Materials: Case Study of Inverse Ti2CoSi-Based Compounds

Shengjie Dong, Yi-Lin Lu, Liefeng Feng, 2020 .

Half-metallic ferromagnetic features in d 0 quaternary-Heusler compounds KCaCF and KCaCCl: A first-principles description

Shengjie Dong, Yi-Lin Lu, Liefeng Feng, 2017 .

Evolution of vegetation and climate variability on the Tibetan Plateau over the past 1.74 million years

H. Birks, Zicheng Yu, Zhengtang Guo, 2020, Science Advances.

First-principles studies on magnetic properties of rocksalt structure MC (M=Ca, Sr, and Ba) under pressure

Shengjie Dong, Hui Zhao, 2011 .

First-principles prediction of magnetic salts: Case study of NaCl bulk and (0 0 1) surface doped with light non-metallic 2p-block elements

Shengjie Dong, Yi-Lin Lu, Baozeng Zhou, 2017 .

First-principles exploration of sp-electron digital magnetic heterostructures: The case for CaO δ-doped with 2p-block elements boron, carbon, and nitrogen

Shengjie Dong, Yi-Lin Lu, Liefeng Feng, 2017 .

Magnetism driven by non-metal interstitials from first-principles prediction: The case of hydrogen- and fluorine-doped calcium monoxide with rock-salt structure

Shengjie Dong, Hui Zhao, 2014 .

Pressure‐induced sp ferromagnetism in electride‐like elemental potassium from first‐principles

Shengjie Dong, Hui Zhao, 2014 .

First-Principles Studies on Magnetic Stability of SrC and BaC in Rocksalt, Zincblende, and Nickel Arsenide Phases Under Pressure

Hui Zhao, Qing Shao, 2012 .

The Behavior of Many-body Localization in the Periodically Driven Heisenberg XXX Model

K. Xue, T. Hu, Xiaodan Li, 2021, International Journal of Theoretical Physics.

Many-Body Localization of Haldane-Shastry Model with Periodic Driving

K. Xue, T. Hu, Xiaodan Li, 2021, International Journal of Theoretical Physics.

First-Principles Study of Pressure-Induced Structural and Magnetic Phase Transitions of Binary Ferromagnets: MnSn and MnSb

Shengjie Dong, Yangyang Song, Hui Zhao, 2014 .

Effects of electronic modification and structural distortion on ferromagnetism in sputtered CeO2 films with isovalent Sn4+ doping

Shengjie Dong, Baozeng Zhou, Hui Zhao, 2014 .

First‐principles study of sp‐electron half‐metallic superlattices in wurtzite structure

Shengjie Dong, Yanyu Liu, Baozeng Zhou, 2014 .

Tuning electronic and magnetic properties of V-, Cr-, and Mn-doped PbS via strain engineering: A first-principles proposal

Shengjie Dong, Yi-Lin Lu, Baozeng Zhou, 2018 .

The structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles

Xiaoming Yang, P. Han, Hui Zhao, 2015 .

Tailoring electronic structure of α-AlH 3 to enhance spin polarization: Insights from density functional calculations

Lili Sun, Shengjie Dong, Yi-Lin Lu, 2017 .

First-Principles Study of Hydrogen Storage of Sc-Modified Semiconductor Covalent Organic Framework-1

W. Shangguan, Jinming Cai, Cuixia Yan, 2021, ACS omega.

Hittorf's violet phosphorene as a promising candidate for optoelectronic and photocatalytic applications: first-principles characterization.

Wei Zhou, Shengjie Dong, Yi-Lin Lu, 2018, Physical chemistry chemical physics : PCCP.

Ferromagnetic spin-order in p-type N-doped SnO2 films prepared by thermal oxidation of SnNx

Shengjie Dong, Yanyu Liu, Baozeng Zhou, 2014 .

Enhanced photocatalytic activity of single-layered Hittorf’s violet phosphorene by isoelectronic doping and mechanical strain: A first-principles research

Haiying He, Shengjie Dong, Yi-Lin Lu, 2019, Computational Materials Science.

Inhibitor discovery from pomegranate rind for targeting human salivary α-amylase

Xia Li, Wenyuan Gao, Jiachen Sun, 2018, Medicinal Chemistry Research.

Ab initio calculation of half-metallic ferromagnetism in zinc-blende (CaN)1/(AlN)x and (CaN)x/(AlN)1 (x=2, 3) (001) superlattices

Shengjie Dong, Hui Zhao, Xiao-Sheng Song, 2014 .

Effects of enhanced electronic correlation on magnetic properties of light non-metallic element (B, C, N, and O)-doped CuCl: A first-principles study

Shengjie Dong, Baozeng Zhou, Hui Zhao, 2014 .

Two-dimensional hexagonal Zn3Si2 monolayer: Dirac cone material and Dirac half-metallic manipulation

Jinming Cai, Cuixia Yan, Liming Liu, 2020 .

Half metallicity and magnetic stability of sp-electron superlattices in rock-salt structure: A first-principles study

Shengjie Dong, Baozeng Zhou, Hui Zhao, 2014 .

Influences of isotropic strain on the electronic and magnetic properties of Fe-, Co-, and Ni-doped PbS revealed by density functional calculations

Shengjie Dong, Yi-Lin Lu, Yanyu Liu, 2019, Materials Chemistry and Physics.

Elastic and phonon instabilities in simple-cubic heavier alkali metals K, Rb and Cs under hydrostatic pressure studied using ab initio calculations

Hui Zhao, Xiao-Sheng Song, 2014 .

Spin-gapless and half-metallic ferromagnetism in potassium and calcium δ-doped GaN digital magnetic heterostructures for possible spintronic applications: insights from first principles

Shengjie Dong, Liefeng Feng, Baozeng Zhou, 2017 .

First-Principles Study of Structural and Vibrational Properties of α-SiO2 under Pressure

Hui Zhao, Yong Song, Xiao Wei Lei, 2015 .

Ab initio exploration of d0 digital magnetic heterostructures: the case of MgO and CaO δ-doped with potassium

Shengjie Dong, Yi-Lin Lu, Liefeng Feng, 2017 .

Half-metallic ferromagnetism in KCaNX (X = O, S, and Se) quaternary Heusler compounds: A first-principles study

Shengjie Dong, Liefeng Feng, Xiaotian Wang, 2017 .

The First Principles Calculation on the Raman Spectrum and Optical Properties of the Defect Monolayer MoS2

Hui Zhao, Yawen Fan, Jinjiao Feng, 2021, Brazilian Journal of Physics.

Pressure-induced ferromagnetism in open structure alkali metals from first principles

Shengjie Dong, Hui Zhao, 2012 .

First-Principle Study on Half-Metallic Ferromagnetism and Structural Stability of C-Doped Alkaline-Earth Chalcogenides under Pressure

Hui Zhao, Q. Han, 2014 .

First Principles Study of Structural, Magnetic and Electronic Properties of PbX (X= S and Se) Doped with B, C and N

Shengjie Dong, Hui Zhao, Xiao-Sheng Song, 2013 .