Zhenyi Jiang

发表

Structures and charge distributions of cationic and neutral Cu n − 1 Ag clusters ( n = 2 – 8 )

S. Chu, Zhenyi Jiang, Kuo-Hsing Lee, 2006 .

First-principles study of structural stability, elastic, vibrational, and electronic properties of TaRu alloys

Xiaodong Zhang, Zhenyi Jiang, Qian Li, 2011 .

Theoretical prediction of ion conductivity in solid state HfO2

Wei Zhang, Wenzhou Chen, Zhenyi Jiang, 2013 .

Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study.

Jian-Li Li, Bing Yin, Z. Wen, 2013, The Journal of chemical physics.

Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands.

Jin-Feng Li, Jian-Li Li, Bing Yin, 2014, The Journal of chemical physics.

Structure and stability of high-spin Lin-1X (n = 2-8, X = Li, Na, and K) clusters

S. Chu, Zhenyi Jiang, Kuo-Hsing Lee, 2008 .

Structures and charge distributions of cationic and neutral LinXm (X = Na and K)

S. Chu, Zhenyi Jiang, Kuo-Hsing Lee, 2006 .

Structures and stability of B-doped Al anions: AlnB− and AlnB2− (n = 1–7)

S. Chu, Zhenyi Jiang, Sheng-Tao Li, 2006 .

Structures and stability of B-doped Al clusters: AlnB and AlnB2 (n=1-7).

Zhenyi Jiang, Sheng-Tao Li, Cheng-Jun Yang, 2005, The Journal of chemical physics.

The structure, electronic state and stability of nitrogen-doped aluminum clusters

Hai-Shun Wu, Zhenyi Jiang, Zhihao Jin, 2004 .

Metal-organic frameworks based on Schiff base condensation reaction as battery-type electrodes for supercapattery

Zhengwen Wei, Zhenyi Jiang, Yingming Guo, 2021, Electrochimica Acta.

High spin polarization in formamidinium transition metal iodides: first principles prediction of novel half-metals and spin gapless semiconductors.

A. Laref, Zhenyi Jiang, Minglei Cao, 2019, Physical chemistry chemical physics : PCCP.

Density functional study of structural and electronic properties of maximum‐spin n+1Aun−1Ag clusters

S. Chu, Zhenyi Jiang, Kuo-Hsing Lee, 2009 .

First-principles investigations on the mechanical, thermal, electronic, and optical properties of the defect perovskites Cs2SnX 6 (X = Cl, Br, I)*

Zhenyi Jiang, Hai-Ming Huang, S. Luo, 2017 .

The structure, electronic, and optical properties of (Sm,N)-codoped anatase TiO2 photocatalyst: A density functional study

Ruiqin Q. Zhang, Xiaodong Zhang, Chaoyuan Zhu, 2014 .

Electronic and optical properties of S/I-codoped anatase TiO2 from ab initio calculations

Xiaodong Zhang, Xiaoyun Hu, Jun Fan, 2013 .

Enhanced optical absorption and photocatalytic activity of anatase TiO2 through (Si,Ni) codoping

Xiaodong Zhang, Chaoyuan Zhu, Xiaoyun Hu, 2012 .

Theoretical study on order–disorder phase transition of CH 3 NH 3 PbCl 3

Zhenyi Jiang, Bo Zhou, Qi Song, 2019, Chinese Physics B.

The electronic structure and optical absorption of rutile TiO2 with La and N dopants from first-principles calculation

Ruiqin Q. Zhang, Xiaodong Zhang, Zhenyi Jiang, 2017 .

Visible-light photocatalytic activity of Ni-doped TiO2 from ab initio calculations

Xiaodong Zhang, Chaoyuan Zhu, Xiaoyun Hu, 2012 .

Theoretical Study of a Novel WSi2N4/MoSi2N4 Heterostructure with Ultrafast Carrier Transport

Zhenyi Jiang, Pan Zhao, Ji Zheng, 2022, The Journal of Physical Chemistry C.

DFT study of [BH4]− rotation in pressure-driven phase transition of MBH4

Zhenyi Jiang, Haiyan Zhu, Qi Song, 2018, Computational Materials Science.

Topology of conical/surface intersections among five low-lying electronic states of CO2: multireference configuration interaction calculations.

Jianguo Yu, Bo Zhou, Z. Wen, 2013, The Journal of chemical physics.

Theoretical investigation on vanadium dinitrides from first-principles calculations

Lei Chen, Zhenyi Jiang, Meiguang Zhang, 2019, Ceramics International.

First principles study of the structures, electronic states and stabilities of AlnCu (n=2–7) clusters

J. Ge, Peng Yang, Zhenyi Jiang, 2005 .

Photocatalytic performance of Cu3SnS4 (CTS)/reduced graphene oxide (rGO) composite prepared via ball milling and solvothermal approach

B. Vidhya, R. Nandhakumar, Zhenyi Jiang, 2020, Journal of Materials Science: Materials in Electronics.

Intercalated aromatic molecule effect on super-hard C20 fullerene materials

Xiaodong Zhang, Zhenyi Jiang, Haiyan Zhu, 2015 .

Theoretical study of structures and stabilities of CmN2 (m=1–14) ions

Hai-Shun Wu, Xiao-hong Xu, Zhenyi Jiang, 2003 .

First principles study of the structure, electronic state and stability of SinC−m anions

Hai-Shun Wu, Xiao-hong Xu, Zhenyi Jiang, 2003 .

Ab initio studies on the structures, adiabatic ionization potentials and stability of SiCm−1+ clusters

Hai-Shun Wu, Xiao-hong Xu, Zhenyi Jiang, 2003 .

Structure and stability of SinCm−n clusters

Hai-Shun Wu, Xiao-hong Xu, Zhenyi Jiang, 2002 .

Ab initio calculation of SiC polytypes

Hai-Shun Wu, Xiao-hong Xu, Zhenyi Jiang, 2002 .

Geometrical structure, electronic states and stability of NinAl+ clusters

S. Chu, Jun-Qian Li, Zhenyi Jiang, 2010 .

Structural, elastic, electronic, and thermodynamic properties of MgAgSb investigated by density functional theory*

Xiaodong Zhang, Zhenyi Jiang, Xiao-nan Fu, 2016 .

Theoretical study on the photocatalytic behavior of isoelectronic S/Se-doped BiVO4: DFT+U approach

Zhenyi Jiang, Pan Zhao, Ji Zheng, 2023, Physica B: Condensed Matter.

Elastic and vibrational properties of monoclinic HfO2 from first-principles study

Wenbo Wang, Xiaodong Zhang, Zhenyi Jiang, 2012 .

The magnetic coupling in manganese-based dinuclear superhalogens and their analogues. A theoretical characterization from a combined DFT and BS study.

Hong-cun Bai, Bing Yin, Z. Wen, 2012, Physical chemistry chemical physics : PCCP.

Structures and stabilities of GaCn (n = 1–10) clusters

Zhenyi Jiang, Hai-yan Zhu, Chenjun Zhang, 2013 .

Electronic and optical performances of (Cu, N) codoped TiO2/g-C3N4 heterostructure photocatalyst: A spin-polarized DFT + U study

Ruiqin Q. Zhang, Guanshi Wang, Chaoyuan Zhu, 2018 .

Combination of experimental and theoretical investigation on Ti-doped g-C3N4 with improved photo-catalytic activity

Chongfeng Guo, Zhenyi Jiang, Jiming Zheng, 2019, Applied Surface Science.

First-principles study on a new type of quaternary carbonitride VWCN with outstanding mechanical properties

Lei Chen, Zhenyi Jiang, 2020 .

First principal calculations to investigate structural, electronic, optical, and magnetic properties of Fe3O4and Cd-doped Fe2O4

M. Tahir, M. Roslan, Abdullah Hasan Jabbar, 2022, Computational Condensed Matter.

Theoretical study on Fe2C MXene as electrode material for secondary battery

B. Li, Z. Qu, Zhenyi Jiang, 2021 .

First-principles investigation of native point defects in two-dimensional Ti3C2

Zhenyi Jiang, Jiming Zheng, Ping Guo, 2019, Computational and Theoretical Chemistry.

Theoretical evaluation of multivalent cation diffusion in the 1T-δ-MnO2 electrode via potential energy surface

Yi Ding, Z. Qu, Zhenyi Jiang, 2020 .

Theoretical study on the initial stage of a magnesium battery based on a V2O5 cathode.

Xiaodong Zhang, Zhenyi Jiang, B. Zhou, 2014, Physical chemistry chemical physics : PCCP.

Electronic and magnetic properties of Re-doped single-layer MoS2: A DFT study

Zhenyi Jiang, Jiming Zheng, Ping Guo, 2017 .

Structural, elastic, and electronic properties of orthorhombic NH3BH3: An ab initio study

Xiaodong Zhang, Zhenyi Jiang, Yuqing Hou, 2012 .

The structural, elastic, phonon, thermal and electronic properties of MnX (X=Ni, Pd and Pt) alloys: First-principles calculations

Xiaodong Zhang, Wenzhou Chen, Zhenyi Jiang, 2013 .

Combined DFT and BS study on the exchange coupling of dinuclear sandwich-type POM: comparison of different functionals and reliability of structure modeling

Bing Yin, Z. Wen, Zhenyi Jiang, 2012, Journal of Molecular Modeling.

Effect of coulomb interaction on the electronic properties of bulk and surface of quaternary heusler CoCrScBi

Yonghong Hu, Zhenyi Jiang, Hai-Ming Huang, 2019, Solid State Sciences.

Half-metal state of a Ti2C monolayer by asymmetric surface decoration.

Zhenyi Jiang, Jiming Zheng, Ping Guo, 2019, Physical chemistry chemical physics : PCCP.

Molecular dynamics study on the shear strain induced martensite-like transformation between rutile and α-PbO2 phase of titanium dioxide

Zhenyi Jiang, Zhiyong Zhang, Wen-Xuan Wang, 2021 .

Strain Effects on Properties of Phosphorene and Phosphorene Nanoribbons: a DFT and Tight Binding Study

Zhenyi Jiang, Jiming Zheng, Ruoyu Zhang, 2018 .

Enhanced optical absorption and photocatalytic water splitting of g-C3N4/TiO2 heterostructure through C&B codoping: A hybrid DFT study

Zhenyi Jiang, V. Maheskumar, Peiying Li, 2021 .

Systematic study on mechanical and electronic properties of ternary VAlN, TiAlN and WAlN systems by first-principles calculations

Taotao Rong, Lei Chen, Zhenyi Jiang, 2020 .

Theoretical discovery of Dirac half metal in experimentally synthesized two dimensional metal semiquinoid frameworks

A. Du, Cheng Tang, Zhenyi Jiang, 2019, Journal of Materials Chemistry C.

Bottom-up building of two-dimensional magnetic materials with self-assembly of superatom TM@Sn12 (TM = Sc, Ti, V, Cr, Mn, Fe) clusters

Ping Guo, Zhenyi Jiang, Jiming Zheng, 2023, Journal of Physics D: Applied Physics.

Theoretical and experimental vibrational analysis of [C6H5NH3]2SiF6

A. Jalbout, A. Ouasri, P. Dhamelincourt, 2003 .

Synergistic effect of Ag and Cu co-doping on the structural, optical, and photocatalytic performance of BiVO4

B. Vidhya, Zhenyi Jiang, V. Maheskumar, 2021, Journal of Materials Science: Materials in Electronics.

Fe and Ni co-doped TiO2 nanoparticles prepared by alcohol-thermal method: Application in hydrogen evolution by water splitting under visible light irradiation

W. Hou, E. Liu, Xiaoyun Hu, 2012 .

High-efficiency adsorption of phenanthrene by Fe3O4-SiO2-dimethoxydiphenylsilane nanocomposite: Experimental and theoretical study.

Wei Wang, Zhengwen Wei, Yaoyao Zhang, 2021, Journal of hazardous materials.

An efficient Z-scheme (Cr, B) codoped g-C3N4/BiVO4 photocatalyst for water splitting: A hybrid DFT study

Zhenyi Jiang, V. Maheskumar, Peiying Li, 2020 .

C/B codoping effect on band gap narrowing and optical performance of TiO2 photocatalyst: a spin-polarized DFT study

S. Lin, Xiaodong Zhang, Chaoyuan Zhu, 2013 .

Theoretical study of the NO, NO2, CO, SO2, and NH3 adsorptions on multi-diameter single-wall MoS2 nanotube

Xiaodong Zhang, Zhenyi Jiang, B. Zhou, 2016 .

Modulating the magnetic properties of MoS2 monolayers by group VIII doping and vacancy engineering

Xiaodong Zhang, Zhenyi Jiang, Qi Song, 2018, RSC advances.

Band-potential fluctuation in C3N4/BiOCl hetero-junction for boosting photo-catalytic activity

Chongfeng Guo, Zhenyi Jiang, Jiming Zheng, 2021 .

Enhanced optical absorption and photocatalytic H2 production activity of g-C3N4/TiO2 heterostructure by interfacial coupling: A DFT+U study

Guanshi Wang, Xiaodong Zhang, Chaoyuan Zhu, 2017 .

Interfacial Electronic Properties and Photocatalytic CO2 Reduction of a Z-Scheme SnS/(CH3NH3)2AgBiI6 Double Perovskite Heterostructure

Ruiqin Zhang, Zhenyi Jiang, V. Maheskumar, 2022, ACS Applied Energy Materials.

S‐Scheme Photocatalytic Mechanism of Type‐I Band Alignment in α‐In2Se3/g‐C3N4 Heterostructure

Zhenyi Jiang, Jiming Zheng, Yan-Ming Lin, 2021, physica status solidi (RRL) – Rapid Research Letters.

Theoretical studies of photocatalytic behaviors of isoelectronic Sn/Pb-doped TiO2: DFT+U

Zhenyi Jiang, Jiming Zheng, Deng-hua Li, 2021, Applied Surface Science.

The electronic structure, optical absorption and photocatalytic water splitting of (Fe plus Ni)-codoped TiO2: A DFT + U study

S. Lin, Xiaodong Zhang, Chaoyuan Zhu, 2017 .

The electronic and optical properties of Eu/Si-codoped anatase TiO(2) photocatalyst.

Xiaodong Zhang, Xiaoyun Hu, Jun Fan, 2012, Applied physics letters.

Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study

Guanshi Wang, Chaoyuan Zhu, Zhenyi Jiang, 2019, Applied Surface Science.

The optical absorption and hydrogen production by water splitting of (Si,Fe)-codoped anatase TiO2 photocatalyst

S. Lin, Xiaodong Zhang, Chaoyuan Zhu, 2013 .

Self-Assembly of a Two-Dimensional Sheet with Ta@Si16 Superatoms and Its Magnetic and Photocatalytic Properties

Lei Shen, Jia Liu, Zhenyi Jiang, 2020, The Journal of Physical Chemistry C.

Electronic and magnetic properties of two dimensional cluster-assembled materials based on TM@Si12 (TM = 3d transition metal) clusters

Zhenyi Jiang, Jiming Zheng, Ping Guo, 2018 .

Geometrical structures, electronic states, and stability of Ni n Al clusters

S. Chu, Jun-Qian Li, Zhenyi Jiang, 2009 .

Understanding of C/Ti‐Doped SnS2 Photocatalytic Behaviors from Electronic Structures

Lei Jiang, Zhenyi Jiang, Jiming Zheng, 2021, physica status solidi (RRL) – Rapid Research Letters.

Structural, Mechanical and Electronic Properties Study on Group VB Transition Metal Ternary Mononitrides from First-Principles Calculations

Lei Chen, Zhenyi Jiang, Zengrun Wen, 2019, Journal of Alloys and Compounds.

Enhanced magnetism in the VLi8 magnetic superatom supported on graphene

Lulu Fu, Zhenyi Jiang, Jiming Zheng, 2019, Applied Surface Science.

Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides.

Zhenyi Jiang, Zhigang G. Wang, Bolong Huang, 2015, Physical chemistry chemical physics : PCCP.

Spectral properties of a Ξ-configuration atom driven by a pair of bichromatic fields

Zhenyi Jiang, Xiaotao Xie, K. Jin, 2013 .

The first-principles study of martensitic transformations in MnMe (Me = Rh, Pd) alloys at low temperatures

Xiaodong Zhang, Wenzhou Chen, Zhenyi Jiang, 2013 .

First-principles study of the electronic and optical properties of the (Eu,N)-codoped anatase TiO2 photocatalyst

Xiaodong Zhang, Wenzhou Chen, E. Liu, 2013 .

Elastic properties of MBH4 (M=Na, K, Rb, Cs)

Z. Hou, Xiaodong Zhang, Zhenyi Jiang, 2011 .

Elastic properties of NaXH4 (X = B, Al)

Xiaodong Zhang, Zhenyi Jiang, Yuqing Hou, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

New Insights into the Structural, Optical, Electronic and Photocatalytic properties of Sulfur Doped Bulk BiVO4 and Surface BiVO4 on {0 1 0} and {1 1 0} via a Collective Theoretical and Experimental Investigation

B. Vidhya, Zhenyi Jiang, Anujit Ghosal, 2021, Journal of Photochemistry and Photobiology A: Chemistry.

Design of half-metal and spin gapless semiconductor for spintronics application via cation substitution in methylammonium lead iodide

Zhenyi Jiang, Hai-Ming Huang, Yan-Ming Lin, 2017 .

Strain Effects on the 2D van der Waals Heterostructure C3B/C3N: A Density Functional Theory and a Tight‐Binding Study

Sujuan Zhang, Zhenyi Jiang, Jiming Zheng, 2020, physica status solidi (RRL) – Rapid Research Letters.

A theoretical study on the role of ammonium ions in the double-layered V2O5 electrode.

Z. Qu, Zhenyi Jiang, Qi Song, 2021, Physical chemistry chemical physics : PCCP.

Highly Selective Electrocatalytic CO 2 Reduction to Methanol on Iridium Dioxide with CO * Spectators

Gaohong Zhai, Wenli Zou, Qinfu Zhao, 2020 .

First-principles predictions of potential hydrogen storage materials: Novel sandwich-type ethylene dimetallocene complexes

Z. Wen, B. Suo, Zhenyi Jiang, 2014 .

Theoretical study on martensitic-type transformation path from rutile phase to α-PbO2 phase of Ti2O

Zhiyong Zhang, Zhenyi Jiang, Jiming Zheng, 2020 .

Structure and stability of high-spin Aun(n = 2–8) clusters

S. Chu, Zhenyi Jiang, Kuo-Hsing Lee, 2009 .

First principal calculations of electronic, optical and magnetic properties of cubic K1−xYxNbO3(Y = Fe, Ni)

Zhenyi Jiang, T. Xu, M. Jameel, 2021, Physica Scripta.

First-principles study of martensitic transformation of IrTi alloy

Wenzhou Chen, Zhenyi Jiang, Liang Si, 2011 .

First-principles study of a Mn-doped In2Se3 monolayer: Coexistence of ferromagnetism and ferroelectricity with robust half-metallicity and enhanced polarization

A. Du, S. Sanvito, Cheng Tang, 2020 .

Origin of the structural diversity of the alkaline metal borohydride MBH4 (M = Li, Na, K, Rb and Cs): Insights from first-principles calculations

Qinfu Zhao, Zhenyi Jiang, Haiyan Zhu, 2020 .

First-principles study of the reorientational motion of the [BH4]- groups in CsBH4's fractionally occupied ground-state phase and the thermal properties

Qinfu Zhao, Zhenyi Jiang, Haiyan Zhu, 2019, Physica B: Condensed Matter.

A theoretical explanation of RbBH4’s fractionally occupied ground-state phase and the reorientational motion of the [BH4]− group

Xiaodong Zhang, Zhenyi Jiang, Bojun Zhou, 2017 .

Theoretical study of disorder-order transition of sodium borohydride

Xiaodong Zhang, Zhenyi Jiang, Yawei Dong, 2016 .

Enhanced photovoltaic performance of dye-sensitized solar cells by the adsorption of Zn-porphyrin dye molecule on TiO2 surfaces

Chaoyuan Zhu, Zhenyi Jiang, Yali Zhao, 2019, Journal of Alloys and Compounds.

Theoretical study of the electrochemical reduction of CO2 on cerium dioxide supported palladium single atoms and nanoparticles

Wenli Zou, Caihua Zhou, B. Suo, 2021, Physical Chemistry, Chemical Physics - PCCP.

Rhombohedral Lanthanum Manganite: A New Class of Dirac Half-Metal with Promising Potential in Spintronics.

A. Du, Zhenyi Jiang, Y. Jiao, 2018, ACS Applied Materials and Interfaces.

A first-principles simulation of the metal borohydride ammonia borane complex (LiBH4)2(NH3BH3) and the decomposition reaction pathway for hydrogen storage

Qinfu Zhao, Zhenyi Jiang, Haiyan Zhu, 2019, International Journal of Hydrogen Energy.

Topology of conical/surface intersections among five low-lying electronic states of CO2: multireference configuration interaction calculations.

Bo Zhou, Z. Wen, Chaoyuan Zhu, 2013, The Journal of chemical physics.

First principles study of the structure, electronic state, and stability of CmN2 clusters

Hai-Shun Wu, Xiao-hong Xu, Zhenyi Jiang, 2004 .

Visible light absorption of (Fe, C/N) co-doped NaTaO{}_{3}: DFT+U *

Xiaodong Zhang, Yali Dong, Zhenyi Jiang, 2017 .

From orientation disordered to ordered—An ab initio simulation on ammonia borane phase transition within van der Waals corrections

Zhiyong Zhang, Xiaodong Zhang, Qi Song, 2015, J. Comput. Chem..

The potential energy curves of low-lying electronic states of S2O.

Yubin Wang, Z. Wen, B. Suo, 2008, The Journal of chemical physics.

Enhanced optical absorption and photocatalytic activity of anatase TiO2 through CNd-codoped: A DFT+U calculations

Xiaodong Zhang, Zhenyi Jiang, Haiyan Zhu, 2017 .

Electronic and optical performances of Si and Fe-codoped TiO2 nanoparticles: A photocatalyst for the degradation of methylene blue

S. Lin, Xiaodong Zhang, Chaoyuan Zhu, 2013 .

The optical absorption and hydrogen production by water splitting of ( Si , Fe )-codoped anatase TiO 2 photocatalyst

S. Lin, Xiaodong Zhang, Chaoyuan Zhu, 2013 .

Rhombohedral Lanthanum Manganite: A New Class of Dirac Half-Metal with Promising Potential in Spintronics.

A. Du, Zhenyi Jiang, Y. Jiao, 2018, ACS applied materials & interfaces.

Electronic and magnetic properties of two dimensional cluster-assembled materials based on TM@Si12 (TM = 3d transition metal) clusters

Zhenyi Jiang, Jiming Zheng, Ping Guo, 2018 .

Theoretical study on transport-scheme conversion of g-C3N4/TiO2 heterojunctions by oxygen vacancies

Zhenyi Jiang, Jiming Zheng, Zhiyong Zhang, 2020 .