Yi-Lin Lu

发表

A guideline for homology modeling of the proteins from newly discovered betacoronavirus, 2019 novel coronavirus (2019‐nCoV)

Jiachen Sun, Shengjie Dong, Zhuo Mao, 2020, Journal of medical virology.

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 .

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 .

Mechanical Strain and Electric Field Tunable Electronic Structure of Black/Violet Phosphorene Van Der Waals Heterostructure: From Type I to Z-Scheme System

Shengjie Dong, Zhuo Mao, Yi-Lin Lu, 2022, SSRN Electronic Journal.

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 .

A first-principles study on the origin of magnetism induced by intrinsic defects in monolayer SnS2

Ying-hua Liang, Lili Sun, Yi-Lin Lu, 2017 .

Direct synthesis of SiC nanowires by multiple reaction VS growth

Xi‐Wen Du, N. Zhao, Jiajun Li, 2007 .

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 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 .

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 .

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 .

Tunable electronic and magnetic properties of antimonene system via Fe doping and defect complex: A first-principles perspective

Lili Sun, Yi-Lin Lu, Yanyu Liu, 2018, Applied Surface Science.

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

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

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.

Electronic, magnetic and optical properties of C- and N-doped CeO 2 bulk and (111) surface from first-principles

Lili Sun, Yi-Lin Lu, Yanyu Liu, 2018 .

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.

Tuning electronic, magnetic and optical properties of Cr-doped antimonene via biaxial strain engineering

Yi-Lin Lu, P. Wu, S. Dai, 2019, Applied Surface Science.

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.

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 .

The electronic structure and room temperature ferromagnetism in non-magnetic element X (X = Al, Mg and Li) doped SrSnO3 from hybrid functional calculations

Wei Zhou, Yi-Lin Lu, Yanyu Liu, 2018 .

First-principles study of electronic structure, magnetic and optical properties of Mg-doped CeO2 (1 1 1) surface

Wei Zhou, Yi-Lin Lu, Yanyu Liu, 2018, Computational Materials Science.

Programmable supramolecular chirality in non-equilibrium systems affording a multistate chiroptical switch

Yi-Lin Lu, Jingjing Li, C. Gu, 2023, Nature communications.