Zhijun Yi

发表

Quasiparticle band structures and optical properties of magnesium fluoride

R. Jia, Zhijun Yi, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

First principles studies of the self trapped hole and the fluorine adsorption on the SrF2(111) surface

Hong-Xing Zhang, Roberts Eglitis, H. Shi, 2013 .

First-principles study on the origin of optical transitions to be associated with F colour centers for PbWO4 crystals

Ting-yu Liu, Yuanyuan Sun, Zhijun Yi, 2006 .

Metallic subnanometer porous silicon: A theoretical prediction

Z. Su, Roberts Eglitis, R. Jia, 2021 .

Ab-initio studies on the electronic properties of Fe dopant in GaAs(1 1 0) surface

Z. Fang, Zhijun Yi, 2016 .

Substitutional Co dopant on the GaAs(110) surface: A first principles study

Z. Fang, Zhijun Yi, 2016 .

Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory.

X. Hao, Yuchen Ma, J. Mu, 2014, The Journal of chemical physics.

First principle studies on the electronic structures of raspite‐ and scheelite‐structured PbWO4 and raspite with VO2+

Ting-yu Liu, Yuanyuan Sun, Zhijun Yi, 2006 .

Silicon Donors at the GaAs(110) Surface: A First Principles Study

M. Rohlfing, Yuchen Ma, Zhijun Yi, 2011 .

Non-local dielectric screening effects in phosphorene/g-C3N4 heterojunctions

Y. Pang, R. Jia, Ruiliang Xu, 2021 .

Quasiparticle band structures and lifetimes in noble metals using Gaussian orbital basis sets

M. Rohlfing, Yuchen Ma, E. Chulkov, 2010 .

Theoretical studies on the structural, electronic and optical properties of orthorhombic perovskites CH 3 NH 3 PbX 3 (X = I, Br, Cl)

Z. Fang, Zhijun Yi, 2017 .

First principles study on mixed orthorhombic perovskite CH3NH3Pb(I1-xBrx)3

Z. Fang, Zhijun Yi, 2017 .

Novel 2D boron nitride with optimal direct band gap: A theoretical prediction

Hong-Xing Zhang, Roberts Eglitis, Fengjiao Li, 2021, Applied Surface Science.

Study of the electronic structures of sheelite and sheelite‐like PbWO4

Ting-yu Liu, Yuanyuan Sun, Zhijun Yi, 2006 .

Origin of the deep band-gap state in TiO2 (110): ddσ bonds between Ti-Ti pairs

M. Rohlfing, Min Wei, Yuchen Ma, 2018, Physical Review B.

Edge modified phosphorene nanoribbon heterojunctions: promising metal-free photocatalysts for direct overall water splitting

R. Jia, Zhijun Yi, Meng Wu, 2022, Journal of Materials Science.

Overall direct photocatalytic water-splitting on C2mm-graphyne: A novel two-dimensional carbon allotrope

Roberts Eglitis, Ran Jia, Zhijun Yi, 2022, Journal of Materials Chemistry C.

Studies on covalent functionalization of single layer black phosphorus from GW calculations based on the many body perturbation theory

Yuchen Ma, R. Jia, Huichao Li, 2020, Electronic Structure.

Transport Energy Level Alignment at the PTCDA/Phosphorene Interface: How Does the Interlayer Coulomb Interaction Affect its Electronic Structure?

Yujia Pang, Zhijun Yi, Meng Wu, 2021 .

Fundamental Insights into the Performance Deterioration of Phosphorene due to Oxidation: A GW Method Investigation

Yuchen Ma, Yuchen Ma, Y. Duan, 2018, Advanced Materials Interfaces.