百晓学者学者目录

张材荣

博士生导师、教授、硕士生导师，兰州理工大学

精选作品

期刊论文

2026

Ag与点缺陷共存对ZnO电磁光学性质影响的第一性原理研究

张梅玲，陈玉红，张材荣，张丽萍，李公平，元丽华

《原子与分子物理学报》

DOI

2026

Thulium Dopant Modulates Nonadiabatic Coupling and Charge Carrier Dynamics of CsPbI2Br Perovskites

Hao-Nan Zhang, Cai‐Rong Zhang, Bing Yang, Ji-Jun Gong, Xiao‐Meng Liu, Mei-Ling Zhang, Hongshan Chen

The Journal of Physical Chemistry Letters

DOI

2026

Theoretical Study on the Central Fused-Ring Modification of Nonfullerene Acceptors for Organic Solar Cells

Cai‐Rong Zhang, Yu Fan, Jia-Lu Fu, Ji-Jun Gong, Mei-Ling Zhang, Xiao‐Meng Liu, Cuicui Sang, Hongshan Chen

The Journal of Physical Chemistry A

DOI

2025

Integrating deep learning and symbolic regression for molecular design and virtual screening of organic solar cells

Long-Fei Lv, Cai‐Rong Zhang, Cuicui Sang, Xiaomeng Liu, Meiling Zhang, Ji-Jun Gong, Yuhong Chen, Hongshan Chen

npj Computational Materials

DOI

2025

High-Throughput Molecular Design of Donors and Non-Fullerene Acceptors for Organic Solar Cells Based on Convolutional Neural Networks

L.T. Chen, Cai‐Rong Zhang, Cuicui Sang, Xiaomeng Liu, Ji-Jun Gong, Meiling Zhang, Hongshan Chen

Journal of Chemical Information and Modeling

DOI

2025

Regulating the Photovoltaic Performance of Organic Solar Cells by Modifying the Y6 ‐Based Non‐Fullerene Acceptors: A Quantum Chemistry Study

Yu‐Tong Ren, Cai‐Rong Zhang, Meiling Zhang, Xiao‐Meng Liu, Ji-Jun Gong, Yuhong Chen, Zi‐Jiang Liu, Youzhi Wu, Hongshan Chen

International Journal of Quantum Chemistry

DOI

2025

Designing Donors and Nonfullerene Acceptors for Organic Solar Cells Assisted by Machine Learning and Fragment‐Based Molecular Fingerprints

Cai‐Rong Zhang, Rui Cao, Xiao‐Meng Liu, Meiling Zhang, Ji-Jun Gong, Zi‐Jiang Liu, Youzhi Wu, Hongshan Chen

Solar RRL

DOI

2024

基于BCzVB的高效非掺杂蓝色有机电致发光器件

邹文静，吴有智，张材荣

《兰州理工大学学报》

2024

Influence of MoO3’s blend in hole transporting layer on the performance of Alq3-based OLEDs

Yukang Zhao, Jiangsen Su, Wenjing Zou, Youzhi Wu, Cai‐Rong Zhang, Ming Shao

Next Materials

DOI

2024

Molecular Design and High‐Throughput Virtual Screening of Electron Donor and Non‐fullerene Acceptors for Organic Solar Cells

Rui Cao, Cai‐Rong Zhang, Ming Li, Xiao‐Meng Liu, Meiling Zhang, Ji-Jun Gong, Yuhong Chen, Zi‐Jiang Liu, Youzhi Wu, Hongshan Chen

Solar RRL

DOI

2024

Machine Learning Study on the Virtual Screening of Donor–Acceptor Pairs for Organic Solar Cells

Ming Li, Cai‐Rong Zhang, Meiling Zhang, Ji-Jun Gong, Xiao‐Meng Liu, Yuhong Chen, Zi‐Jiang Liu, Youzhi Wu, Hongshan Chen

physica status solidi (a)

DOI

2023

Alq基有机发光二极管中Liq的“n型掺杂”机理研究

苏江森，吴有智，邹文静，张材荣

《半导体光电》

2023

有机光伏异质结氟化苯三唑聚合物给体/十环熔合非富勒烯受体的理论研究（英文）

杨兵，张材荣，王宇，张梅玲，刘子江，吴有智，陈宏善

Chinese Journal of Chemical Physics

2023

Theoretical Study on Functionalizing A–D–A Type Non‐Fullerene Acceptor by Fused Rings and Side Chains for Organic Solar Cells

Li Ma, Cai‐Rong Zhang, Meiling Zhang, Xiao‐Meng Liu, Ji-Jun Gong, Yuhong Chen, Zi‐Jiang Liu, Youzhi Wu, Hongshan Chen

Advanced Theory and Simulations

DOI

2023

First‐principles study on the CH4 adsorption performance of Mn‐modified N‐doped graphdiyne

Zhiwei Chen, Qiuyu Zhao, Yuhong Chen, Jialin Sun, Meiling Zhang, Cuicui Sang, Cai‐Rong Zhang

International Journal of Quantum Chemistry

DOI

2023

Storage properties of 6,6,12-graphyne methane: a Monte Carlo and first-principles study

Cheng‐Hui Chen, Yuhong Chen, Jialin Sun, Zhiwei Chen, Caicai Zhou, Meiling Zhang, Cuicui Sang, Cai‐Rong Zhang

New Journal of Chemistry

DOI

2022

MoO3掺杂有机半导体NPB光电性质研究

赵玉康，苏江森，吴有智，张材荣

《兰州理工大学学报》

2022

Molecular stacking pattern effects in heterojunction of D18 : Y6 organic solar cell

Miao Zhao, Cai‐Rong Zhang, Meiling Zhang, Xiao‐Meng Liu, Ji-Jun Gong, Zi‐Jiang Liu, Yuhong Chen, Hongshan Chen

International Journal of Quantum Chemistry

DOI

2022

First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4 adsorbent

Qiuyu Zhao, Jiaming Ju, Yuhong Chen, Wenhui Xu, Yingjie Zhao, Meiling Zhang, Cuicui Sang, Cai‐Rong Zhang

Journal of Applied Physics

DOI

2022

First-principles study of the impact of hydrogen on the adsorption properties of Ti-decorated graphdiyne storage methane

Qiuyu Zhao, Yuhong Chen, Wenhui Xu, Jiaming Ju, Yingjie Zhao, Meiling Zhang, Cuicui Sang, Cai‐Rong Zhang

Chemical Physics Letters

DOI

2022

Open-Circuit Voltage Loss and Dielectric Constants as New Descriptors in Machine Learning Study on Organic Photovoltaics

Bing Kuan Yang, Cai‐Rong Zhang, Yu Wang, Miao Zhao, Hai‐Yuan Yu, Zi‐Jiang Liu, Xiao‐Meng Liu, Yuhong Chen, Youzhi Wu, Hongshan Chen

International Journal of Quantum Chemistry

DOI

2021

基于苝的非掺杂荧光白色有机电致发光器件

吴有智，梁楠，赵玉康，张材荣

《兰州理工大学学报》

2021

First-principles study on methane storage properties of porous graphene modified with Mn

Qiuyu Zhao, Yingjie Zhao, Yuhong Chen, Jiaming Ju, Wenhui Xu, Meiling Zhang, Cuicui Sang, Cai‐Rong Zhang

Applied Physics A

DOI

2021

Formamidinium dopant effects on double perovskite Cs2AgBiBr6

Cai‐Rong Zhang, Hong Chen, Zi‐Jiang Liu, Meiling Zhang, Wei Wang, Youzhi Wu, Hongshan Chen

International Journal of Quantum Chemistry

DOI

2021

First‐principles study on the methane adsorption properties by Ti‐modified graphyne

Wenhui Xu, Yuhong Chen, Yingjie Zhao, Meiling Zhang, Ranran Tian, Cai‐Rong Zhang

International Journal of Quantum Chemistry

DOI

2021

Highly efficient non-doped blue OLED based on perylene

N. Liang, Y. K. Zhao, Youzhi Wu, Cai‐Rong Zhang, Ming Shao

Applied Physics Letters

DOI

2021

First‐Principles Study on Methane Adsorption Performance of Ti‐Modified Porous Graphene

Yingjie Zhao, Yuhong Chen, Wenhui Xu, Meiling Zhang, Cai‐Rong Zhang

physica status solidi (b)

DOI

2021

Methane adsorption properties of N-doped graphdiyne: a first-principles study

Wenhui Xu, Yuhong Chen, Yingjie Zhao, Meiling Zhang, Ranran Tian, Cai‐Rong Zhang

Structural Chemistry

DOI

2020

Methane Adsorption Properties of Mn‐Modified Graphene: A First‐Principles Study

Yingjie Zhao, Yuhong Chen, Mingxia Song, Xiaocong Liu, Wenhui Xu, Meiling Zhang, Cai‐Rong Zhang

Advanced Theory and Simulations

DOI

2020

First-Principles Study on Methane (CH 4 ) Storage Properties of Graphdiyne

Wenhui Xu, Yuhong Chen, Mingxia Song, Xiaocong Liu, Yingjie Zhao, Meiling Zhang, Cai‐Rong Zhang

The Journal of Physical Chemistry C

DOI

2020

A first-principles study of gas molecule adsorption on hydrogen-substituted graphdiyne

Mingxia Song, Yuhong Chen, Xiaocong Liu, Wenhui Xu, Yingjie Zhao, Meiling Zhang, Cai‐Rong Zhang

Physics Letters A

DOI

2020

Fusion of thienyl into the backbone of electron acceptor in organic photovoltaic heterojunctions: a comparative study of BTPT-4F and BTPTT-4F

Ruirong Bai, Cai‐Rong Zhang, Youzhi Wu, Meiling Zhang, Yuhong Chen, Zi‐Jiang Liu, Hongshan Chen

New Journal of Chemistry

DOI

2019

Adsorption properties of formaldehyde on β12-borophene surfaces: A first-principles study

Xiaocong Liu, Yuhong Chen, Meiling Zhang, Cai‐Rong Zhang

Chemical Physics Letters

DOI

2019

Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction

Ruirong Bai, Cai‐Rong Zhang, Youzhi Wu, Lihua Yuan, Meiling Zhang, Yuhong Chen, Zi‐Jiang Liu, Hongshan Chen

International Journal of Quantum Chemistry

DOI

2019

Scandium Decoration of Boron Doped Porous Graphene for High-Capacity Hydrogen Storage

Jing Wang, Yuhong Chen, Lihua Yuan, Meiling Zhang, Cai‐Rong Zhang

Molecules

DOI

2019

First-principles study of V-decorated porous graphene for hydrogen storage

Lihua Yuan, Daobin Wang, Jijun Gong, Cai‐Rong Zhang, Liping Zhang, Meiling Zhang, Xiaojuan Wu, Long Kang

Chemical Physics Letters

DOI

2019

First-Principles Study of the Reaction between Fluorinated Graphene and Ethylenediamine

Tian Jin, Yuhong Chen, Jing Wang, Tingting Liu, Meiling Zhang, Cai‐Rong Zhang

Molecules

DOI

2019

The bis-dimethylfluoreneaniline organic dye sensitizers for solar cells: A theoretical study and design

Cai‐Rong Zhang, Yang Zhang, Xingyu Li, Wei Wang, Ji-Jun Gong, Zi‐Jiang Liu, Hongshan Chen

Journal of Molecular Graphics and Modelling

DOI

2018

金属原子（Li/K）掺杂对NaMgH3体系放氢性能影响的理论研究

陈玉红，何开宙，张梅玲，元丽华，张材荣

《稀有金属材料与工程》

2018

The adsorption and diffusion theoretical investigations of H on LaFeO3(010) surface with an O vacancy

Jiajia Fan, Yuhong Chen, Jing Wang, Tingting Liu, Meiling Zhang, Lihua Yuan, Cai‐Rong Zhang

International Journal of Modern Physics C

DOI

2018

Enhanced Zintl anions by carbon doping in Al‐Na clusters and new magic structure Al6Na4C

Jianling Tang, Cai‐Rong Zhang, Ning Du, Yanyan Zhao, Hongshan Chen

International Journal of Quantum Chemistry

DOI

2018

Theoretical Study of Hydrogen on LaFeO3 (010) Surface Adsorption and Subsurface Diffusion

Changchang Pan, Yuhong Chen, Meiling Zhang, Lihua Yuan, Cai‐Rong Zhang

Materials

DOI

2018

Theoretical study on the effect of an O vacancy on the hydrogen storage properties of the LaFeO3 (010) surface

Yuhong Chen, Jiajia Fan, Tingting Liu, Jing Wang, Meiling Zhang, Cai‐Rong Zhang

International Journal of Hydrogen Energy

DOI

2018

Synthesis and theoretical study of large-sized Bi4Ti3O12 square nanosheets with high photocatalytic activity

Xinxin Zhao, Hua Yang, Shuaihu Li, Ziming Cui, Cai‐Rong Zhang

Materials Research Bulletin

DOI

2018

The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad

Xiao-Juan Lu, Cai‐Rong Zhang, Yu-Lin Shen, Youzhi Wu, Zi‐Jiang Liu, Hongshan Chen

Journal of Molecular Structure

DOI

2018

Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model

Peng Xu, Cai‐Rong Zhang, Wei Wang, Ji-Jun Gong, Zi‐Jiang Liu, Hongshan Chen

International Journal of Molecular Sciences

DOI

2017

Li-Decorated β12-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study

Tingting Liu, Yuhong Chen, Haifeng Wang, Meiling Zhang, Lihua Yuan, Cai‐Rong Zhang

Materials

DOI

2017

A first-principles study of gas molecule adsorption on borophene

Tingting Liu, Yuhong Chen, Meiling Zhang, Lihua Yuan, Cai‐Rong Zhang, Jing Wang, Jiajia Fan

AIP Advances

DOI

2017

The electronic structures and optical properties of fullerene derivatives for organic solar cells: The number and size effects of fullerene-cage

Yang Zhang, Cai‐Rong Zhang, Lihua Yuan, Meiling Zhang, Yuhong Chen, Zi‐Jiang Liu, Hongshan Chen

Materials Chemistry and Physics

DOI

2017

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations

Yuhong Chen, Jing Wang, Lihua Yuan, Meiling Zhang, Cai‐Rong Zhang

Materials

DOI

2017

Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin

Cai‐Rong Zhang, Xingyu Li, Yu-Lin Shen, Youzhi Wu, Zi‐Jiang Liu, Hongshan Chen

The Journal of Physical Chemistry A

DOI

2017

A First Principles Study of H2 Adsorption on LaNiO3(001) Surfaces

Changchang Pan, Yuhong Chen, Na Wu, Meiling Zhang, Lihua Yuan, Cai‐Rong Zhang

Materials

DOI

2016

Mg3N2团簇吸附H的密度泛函理论研究

陈玉红，李文强，张梅玲，张材荣，康龙，罗永春

《稀有金属材料与工程》

2016

Density functional theory study of α-cyanoacrylic acid adsorbed on rutile TiO 2 (1 1 0) surface

Yang Zhang, Cai‐Rong Zhang, Wei Wang, Ji-Jun Gong, Zi‐Jiang Liu, Hongshan Chen

Computational and Theoretical Chemistry

DOI

2016

First-principle study of O vacancy on LaNiO3 (001) surface

Changchang Pan, Yuhong Chen, Na Wu, Meiling Zhang, Lihua Yuan, Cai‐Rong Zhang

International Journal of Hydrogen Energy

DOI

2015

有机半导体CBP双极传输特性研究

袁玲道，吴有智，张运虎，张材荣，张定军

《光电子·激光》

2015

A new photocatalyst of LuFeO3for the dye degradation

Ming Ru Zhou, Hua Yang, Tao Xian, Cai‐Rong Zhang

Physica Scripta

DOI

2014

有机半导体NPB空穴迁移率的快速确定

吴有智，马继晶，张运虎，张材荣，张定军

《兰州理工大学学报》

2014

Mg（NH2）2与MgH2放氢反应机理的理论研究

陈玉红，高合登，杨亮，张梅玲，张材荣，康龙，罗永春

《稀有金属材料与工程》

2014

The adsorption of α-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study

Jingang Ma, Cai‐Rong Zhang, Ji-Jun Gong, Bing Yang, Haimin Zhang, Wei Wang, Youzhi Wu, Yuhong Chen, Hongshan Chen

The Journal of Chemical Physics

DOI

2014

Impact of Electron Delocalization on the Nature of the Charge-Transfer States in Model Pentacene/C60 Interfaces: A Density Functional Theory Study

Bing Yang, Yuanping Yi, Cai‐Rong Zhang, Saadullah G. Aziz, Veaceslav Coropceanu, Jean‐Luc Brédas

The Journal of Physical Chemistry C

DOI

2014

First-Principle Study of H2Adsorption on Mg3N2(110) Surface

Yuhong Chen, Bingwen Zhang, Cai‐Rong Zhang, Meiling Zhang, Long Kang, Yong‐Chun Luo

Chinese Physics Letters

DOI

2014

Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals

Cai‐Rong Zhang, John S. Sears, Bing Yang, Saadullah G. Aziz, Veaceslav Coropceanu, Jean‐Luc Brédas

Journal of Chemical Theory and Computation

DOI

2014

First‐Principle Study of H2 Adsorption on LaFeO3(110) Surface

Yuhong Chen, Bingwen Zhang, Liang Yang, Meiling Zhang, Cai‐Rong Zhang, Long Kang, Yong‐Chun Luo

Journal of Nanomaterials

DOI

2013

超薄插入法实现的理想白色有机电致发光器件

张运虎，吴有智，马继晶，倪蔚德，张材荣，张定军

《发光学报》

2013

H2分子在Li2NH（110）表面吸附的第一性原理研究

陈玉红，吕晓霞，杜瑞，董肖，张材荣，康龙，罗永春

《稀有金属材料与工程》

2013

蓝色、橙色混合OLED中电压对色度的影响

张运虎，吴有智，马继晶，倪蔚德，张材荣，张定军

《半导体光电》

2013

纳米SiO2-Ni核壳结构粒子的制备与性能表征

魏智强，吴永富，刘立刚，冯旺军，杨华，张材荣

《材料热处理学报》

2013

(SiC)n（n=1～5）团簇的结构与性质的密度泛函理论研究

张梅玲，陈玉红，李公平，张材荣

《原子与分子物理学报》

2013

Vibronic Coupling in the Ground State of Oligoacene Cations: The Performance of Range-Separated Hybrid Density Functionals

Cai‐Rong Zhang, Veaceslav Coropceanu, John S. Sears, Jean‐Luc Brédas

The Journal of Physical Chemistry C

DOI

2012

Mg（NH2）2与LiH放氢反应机理的密度泛函理论研究

陈玉红，董肖，吕晓霞，张梅玲，张材荣，康龙，罗永春

《计算物理》

2012

Enhanced slow light propagation in photonic crystal waveguides using angular properties of scatter elements

Daobin Wang, Jie Zhang Jie Zhang, Yongli Zhao, Sai Chen, Lihua Yuan, Jingli Lei, Cai‐Rong Zhang, Shanglin Hou

Chinese Optics Letters

DOI

2012

DPVBi高效、高亮度非掺杂蓝色有机电致发光器件

倪蔚德，吴有智，张文林，张材荣，张定军

《半导体光电》

2011

H2分子在Li3N（100）表面吸附的第一性原理研究

杜瑞，陈玉红，张致龙，王伟超，张材荣，康龙，罗永春

《化学学报》

2011

(KN3)n（n=1～5）团簇结构与性质的密度泛函理论研究

王伟超，陈玉红，杜瑞，张致龙，张材荣

《原子与分子物理学报》

2011

MoO3为缓冲层的高效非掺杂蓝色有机发光二极管

倪蔚德，吴有智，张文林，张材荣，张定军

《发光学报》

2011

(CuAu3)n和（Cu3Au）n（n=1～15）团簇基态能量和结构的Monte Carlo模拟研究

张梅玲，陈玉红，李公平，张材荣

《原子与分子物理学报》

2011

(K3N)n（n=1,…,5）团簇结构与性质的密度泛函理论研究

陈玉红，王伟超，杜瑞，张致龙，张材荣

《计算物理》

2011

Effect of a magnetic field on the energy levels of donor impurities in the ZnO parabolic quantum well

元丽华，王道斌，陈玉红，张材荣，蒲忠胜，张海民

Journal of Semiconductors

2011

(HCaN3)n（n=1～5）团簇结构与性质的密度泛函理论研究

陈玉红，张致龙，任宝兴，张材荣，杜瑞，王伟超

《化学学报》

2011

约束弧等离子体制备不同形貌的铝纳米晶

魏智强，闫晓燕，张材荣，杨华，闫鹏勋

《材料热处理学报》

DOI

2011

碳包裹镍核-壳结构复合纳米颗粒的制备及性能研究

魏智强，刘立刚，冯旺军，杨华，张材荣，闫鹏勋

《材料工程》

2011

约束弧等离子体制备碳包覆铁纳米颗粒的性能(英文)

魏智强，刘立刚，杨华，张材荣，冯旺军

Transactions of Nonferrous Metals Society of China

2011

Structure and Property of(K_3N)_n(n=1,…,5) Clusters: A Density Functional Study

Cai‐Rong Zhang

Jisuan wuli

2011

Ground energy and structures of (CuAu 3 ) n and (Cu 3 Au) n (n = 1 ∼ 15) studied by the Monte Carlo method

Meiling Zhang, Yuhong Chen, Cai‐Rong Zhang, LI Gong-ping

Journal of Atomic and Molecular Physics

2010

Spiral Wave in Small-World Networks of Hodgkin-Huxley Neurons

马军，杨利建，吴莹，张材荣

Communications in Theoretical Physics

2010

碱土金属叠氮化合物（MgN6）n（n=1～5）团簇结构与性质的密度泛函理论研究

任宝兴，陈玉红，曹一杰，康龙，张材荣，罗永春

《无机化学学报》

2010

ZnSe/ZnS抛物量子阱中激子的极化子效应(英文)

元丽华，安张辉，张材荣，陈玉红，王道斌

《发光学报》

2010

Melting of (MgO)n (n=18, 21, and 24) clusters simulated by molecular dynamics

Yan Zhang, H. S. Chen, B. X. Liu, Cai‐Rong Zhang, X. F. Li, Y. C. Wang

The Journal of Chemical Physics

DOI

2009

MgmBn团簇层状结构的密度泛函理论研究

陈玉红，康龙，罗永春，张材荣，武志敏

《稀有金属材料与工程》

2009

有机染料敏化剂JK16和JK17的几何结构、电子结构及相关性质(英文)

张材荣，吴有智，陈玉红，陈宏善

《物理化学学报》

2009

Determination of carrier mobility in disordered organics from current-voltage characteristics

Youzhi Wu, Cai‐Rong Zhang, D. J. Zhang

Applied Physics Letters

DOI

2009

Geometry, Electronic Structure, and Related Properties of Dye Sensitizer: 3,4-bis[1-(carboxymethyl)-3-indolyl]-1H-pyrrole-2,5-dione

Cai‐Rong Zhang, Youzhi Wu, Yuhong Chen, Yutian Ding, Ding-jun Zhang, Hongshan Chen

Chinese Journal of Chemical Physics

DOI

2008

染料敏化太阳能电池光敏剂卟啉儿茶酚的密度泛函和含时密度泛函研究(英文)

张材荣，陈玉红，蒲忠胜，魏智强，王道斌，吴有智，陈宏善

《原子与分子物理学报》

2008

Mg2Bn（n=4～9）团簇结构与性质的DFT研究

武志敏，陈玉红，罗永春，张材荣

《原子与分子物理学报》

2008

(LiN3)n（n=1～2）团簇的密度泛函研究

陈玉红，康龙，张材荣，罗永春

《原子与分子物理学报》

2008

Structures and electronic properties of SimN8-m（0<m<8） clusters: a density functional theory study

张材荣，陈玉红，王道斌，吴有智，陈宏善

Chinese Physics B

2008

[Ca（NH2）2]n（n=1～5）团簇的密度泛函理论研究

陈玉红，康龙，张材荣，罗永春，李延龙，元丽华

《化学学报》

2008

(Ca3N2)n（n=1—4）团簇结构与性质的密度泛函理论研究

陈玉红，康龙，张材荣，罗永春，元丽华，李延龙

《物理学报》

2008

(Mg3N2)n（n=1～4）团簇结构与性质的密度泛函研究

陈玉红，康龙，张材荣，罗永春，武志敏，张梅玲

《无机化学学报》

2008

亚甲基富勒烯衍生物[6,6]-苯基-C61丁酸甲酯的密度泛函研究（英文）

张材荣，陈宏善，陈玉红，魏智强，蒲忠胜

《物理化学学报》

2007

(LiN3)n（n=1～2）团簇结构与性质的密度泛函研究

陈玉红，康龙，张材荣，罗永春

《原子与分子物理学报》

2007

(MgB2)n（n=1～3）团簇结构与性质的密度泛函研究

陈玉红，张材荣，康龙，罗永春

《计算物理》

2007

阳极弧等离子体制备镍纳米粉的机理研究

魏智强，夏天东，马军，张材荣，冯旺军，闫鹏勋

《稀有金属材料与工程》

2007

DFT study on the structure and spectra of Ga5P5cluster

Cai‐Rong Zhang, Chen Hong-Shan, Yan Song, XU Guang-ji

Chinese Physics

DOI

2006

施主离子对抛物阱中束缚极化子的影响

元丽华，安张辉，王旭，张材荣，马军

《兰州理工大学学报》

2006

震荡和间歇矩形周期驱动实现螺旋波的抑制

蒲忠胜，马军，陈玉红，张材荣，李智

《兰州理工大学学报》

2006

AgCl团簇结构的研究

尹跃洪，陈宏善，张材荣，宋燕

《西北师范大学学报(自然科学版)》

会议论文

2007

Mg 6 B 12 @X（X=H，Li）团簇结构与性质的密度泛函理论研究

陈玉红，康龙，罗永春，张材荣

《全国计算机物理学会第六届年会和学术交流会》

2007

结构参数对聚苯乙烯光子晶体能带结构的影响

王道斌，张材荣，候尚林，任国栋，雷锦丽

《第十四届全国原子与分子物理学术会议》

2007

(LiN 3 ) n （n=1～2）团簇结构与性质的密度泛函研究

陈玉红，康龙，张材荣，罗永春

《第十四届全国原子与分子物理学术会议论文专辑》

2007

Si 6 N 2 团簇结构与性质的密度泛函理论研究

张材荣，陈玉红，蒲忠胜，王道斌，元丽华，许广济，陈宏善

《第十四届全国原子与分子物理学术会议论文专辑》

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