![張立軍[吉林大學教授兼博士生導師]](/img/c/f50/nBnauM3X2MjMzIjM1cTO4EDN0UTMyITNykTO0EDMwAjMwUzL3kzL0AzLt92YucmbvRWdo5Cd0FmLxE2LvoDc0RHa.jpg "張立軍[吉林大學教授兼博士生導師]")
個人經歷
學習經歷：
1999/09－2003/06 東北師範大學物理系 本科
2003/09－2008/06 吉林大學超硬材料國家重點實驗室 博士
工作經歷：
2008/07－2010/01 美國橡樹嶺國家實驗室 博士後
2010/02－2013/01 美國國家可再生能源實驗室 博士後
2013/02－2014/09 美國科羅拉多大學波爾得分校 研究助理教授
2014/09－今 吉林大學材料科學與工程學院 教授兼博士生導師
科學研究
研究領域
長期圍繞半導體功能材料，以基於電子結構計算的材料模擬為手段，開展系統的材料能帶調控及新材料設計研究。研究重點集中在與電子信息材料緊密相關的光電特性。
主要學術貢獻：
設計了具有直接帶隙光學活性的矽/鍺複合結構納米線，為實現高效率矽基光電材料提供了新思路；
套用自主開發的JUMP2高通量材料設計軟體，從理論上設計了一系列無鉛雙鈣鈦礦類鹵化物材料，為實現無毒鈣鈦礦光電器件指引了新方向，部分設計材料已被實驗合成印證並套用於光電器件；
提出了通過改變低維納米材料的幾何尺寸實現半導體異質結類型轉變的新途徑；
根據雜質的振動性質指認了硒/碲化鎘中的氫缺陷，得到了後續實驗的證實。
1.設計了具有直接帶隙光學活性的矽/鍺複合結構納米線，為實現高效率矽基光電材料提供了新思路；
2.套用自主開發的JUMP2高通量材料設計軟體，從理論上設計了一系列無鉛雙鈣鈦礦類鹵化物材料，為實現無毒鈣鈦礦光電器件指引了新方向，部分設計材料已被實驗合成印證並套用於光電器件；
3.提出了通過改變低維納米材料的幾何尺寸實現半導體異質結類型轉變的新途徑；
4.根據雜質的振動性質指認了硒/碲化鎘中的氫缺陷，得到了後續實驗的證實。
論文論著
迄今共發表SCI論文70餘篇，第一/通訊作者論文（40餘篇）包括Nature Commun. [IF=11.329] (1篇)、Nature Reviews Materials (1篇)、Phys. Rev. Lett. [IF=7.37] (2篇)、J. Am. Chem. Soc. [IF= 13.038] (3篇) 、Nano Lett. [IF=13.198] (4篇)、ACS Nano [IF=11.421] (1篇)、Phys. Rev. B [IF=3.691] (14篇)、Chem. Mater. [IF=9.407] (4篇)。論文共被引用2700餘次，H因子值為25（Google Scholar統計）。
代表性論文：
“Materials Discovery at High Pressures”
Lijun Zhang, Yanchao Wang, Jian Lv, and Yanming Ma*,Nature Reviews Materials2, 17005 (2017).
“Cu-In Halide Perovskite solar absorbers”
Xin-Gang Zhao, Dongwen Yang, Yuanhui Sun, Tianshu Li, Lijun Zhang*, Liping Yu, and Alex Zunger,J. Am. Chem. Soc.139, 6718 (2017).
“Design of Lead-free Inorganic Halide Perovskites for Solar Cells via Cation-transmutation”
Xin-Gang Zhao, Jihui Yang, Yuhao Fu, Dongwen Yang, Qiaoling Xu, Liping Yu, Su-Huai Wei*, and Lijun Zhang*,J. Am. Chem. Soc.139, 2630 (2017).
“Highly Oriented Low-Dimensional Tin Halide Perovskites with Enhanced Stability and Photovoltaic Performance”
Yuqin Liao, Hefei Liu, Wenjia Zhou, Dongwen Yang, Yuequn Shang, Zhifang Shi, Binghan Li, Xianyuan Jiang, Lijun Zhang*, Li Na Quan, Rafael Quintero-Bermudez, Brandon R.Sutherland, Qixi Mi, Edward H. Sargent, and Zhijun Ning*,J. Am. Chem. Soc.139, 6693 (2017).
“Sn(II)-Containing Phosphates as Optoelectronic Materials”
Qiaoling Xu, Yuwei Li, Lijun Zhang*, Weitao Zheng, David J. Singh*, and Yanming Ma*,Chem.Mater.29, 2459 (2017).
“Computer-Assisted Inverse Design of Inorganic Electrides”
Yunwei Zhang*, Hui Wang, Yanchao Wang, Lijun Zhang, and Yanming Ma*,Phys. Rev. X7, 011017 (2017).
“Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities”
Dongwen Yang, Jian Lv, Xingang Zhao, Qiaoling Xu, Yuhao Fu, Yiqiang Zhan, Alex Zunger*, and Lijun Zhang*,Chem. Mater.29, 524 (2017).
“Intrinsic ultralow lattice thermal conductivity of the unfilled skutterudite FeSb”
Yuhao Fu, David J. Singh, Wu Li*, and Lijun Zhang*,Phys. Rev. B94, 075122 (2016).
“Fast Diffusion of Native Defects and Impurities in Perovskite Solar Cell Material CHNHPbI”
Dongwen Yang, Wenmei Ming, Hongliang Shi, Lijun Zhang*, and Mao-Hua Du*,Chem. Mater.28, 4349 (2016).
“Tellurium Hydrides at High Pressures: High-Temperature Superconductors”
Xin Zhong, Hui Wang, Jurong Zhang, Hanyu Liu, Shoutao Zhang, Hai-Feng Song, Guochun Yang*,Lijun Zhang*, and Yanming Ma*,Phys. Rev. Lett.116, 057002 (2016).
“High-pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides”
Yuhao Fu, Xiangpo Du, Lijun Zhang*, Feng Peng, Miao Zhang, Chris J. Pickard, Richard J. Needs, David J. Singh*, Weitao Zheng, and Yanming Ma*,Chem. Mater.28, 1746 (2016).
“Stabilization of Fullerene-like Boron Cages by Transition Metal Encapsulation”
Jian Lv, Yanchao Wang, Lijun Zhang*, Haiqing Lin, Jijun Zhao* and Yanming Ma*,Nanoscale. 7, 10482 (2015).
“NH: a novel polymeric hydronitrogen as a high energy density material”
Ketao Yin, Yanchao Wang*, Hanyu Liu, Feng Peng and Lijun Zhang*,J. Mater. Chem. A3, 4188
(2015).
“Evolution of Electronic Structure as a Function of Layer Thickness in Group-VIB Transition Metal Dichalcogenides: Emergence of Localization Prototypes”
Lijun Zhang* and Alex Zunger*,Nano Lett.15, 949 (2015).
“Reinterpretation of the Expected Electronic Density of States of Semiconductor Nanowires”
Jianping Wang, Jun-Wei Luo, Lijun Zhang* and Alex Zunger*,Nano Lett.15, 88 (2015).
“Genetic Design of Enhanced Valley Splitting towards a Spin Qubit in Silicon”
Lijun Zhang, Jun-Wei Luo, A. L. Saraiva, Belita Koiller, and Alex Zunger,Nature Commun.4, 2396 (2013).
“The Birth of a Type-II Nanostructure: Carrier Localization and Optical Properties of Isoelectronically Doped CdSe:Te Nanocrystals”
Lijun Zhang*, Zhibin Lin*, Jun-Wei Luo, and Alberto Franceschetti*, ACS Nano 6, 8325 (2012).
“Genomic design of strong direct-gap optical transition in Si/Ge core/multishell nanowires”
Lijun Zhang*, Mayeul d’Avezac, Jun-Wei Luo, and Alex Zunger*,Nano Lett.12, 984 (2012).
“Excitons and excitonic fine structures in Si nanowires: Prediction of an electronic state crossover with diameter changes”
Lijun Zhang, Jun-Wei Luo, Alberto Franceschetti, and Alex Zunger*,Phys. Rev. B84, 075404 (2011).
“Wide InP nanowires with Wurtzite/Zincblende superlattice segments are type-II whereas narrower nanowires become type-I: An atomistic pseudopotential calculation”
Lijun Zhang, Jun-Wei Luo, Alex Zunger*, Nika Akopian, Val Zwiller, and Jean-Christophe Harmand,Nano Lett.10, 4055 (2010).
“Electronic structure and thermoelectric properties: PbBiTeand related intergrowth compounds”
Lijun Zhang and D. J. Singh,Phys. Rev. B81, 245119 (2010).
“Electronic structure of CsFeSband its alloy with cobalt: A magnetic compound related to the iron superconductors”
Lijun Zhang and D. J. Singh,Phys. Rev. B81, 193102 (2010).
“Electronic correlations in the iron pnictides”
M. M. Qazilbash, J. J. Hamlin, R. E. Baumbach, Lijun Zhang, D. J. Singh, M. B. Maple, and D. N. Basov,Nature Phys.5, 647 (2009). (First author in theoretical contributions)
“Comment on ‘Spectroscopic Signatures of Novel Oxygen-Defect Complexes in Stoichiometrically Controlled CdSe’”
Lijun Zhang, J. T-Thienprasert, M.-H. Du, D. J. Singh, and S. Limpijumnong,Phys. Rev. Lett.102, 209601 (2009).
“Density functional study of excess Fe in FeTe: Magnetism and doping”
Lijun Zhang, D. J. Singh, and M. H. Du,Phys. Rev. B79, 012506 (2009).
“Possible superconductivity in Fe-Sb based materials: Density functional study of LiFeSb”
Lijun Zhang, Alaska Subedi, D. J. Singh, and M. H. Du,Phys. Rev.B 78, 174520 (2008).
“CaCl-type high-pressure phase of magnesium hydride predicted byab initiophonon calculations”
Lijun Zhang, Yanchao Wang, Tian Cui, Yan Li, Yinwei Li, Zhi He, Yanming Ma*, and Guangtian Zou,Phys. Rev.B 75, 144109 (2007).
“Pressure-induced enhancement of electron-phonon coupling in superconducting CaCfrom first principles”
Lijun Zhang, Yu Xie, Tian Cui, Yan Li, Zhi He, Yanming Ma*, and Guangtian Zou,Phys. Rev.B 74, 184519 (2006).
1.“Materials Discovery at High Pressures”
Lijun Zhang, Yanchao Wang, Jian Lv, and Yanming Ma*,Nature Reviews Materials2, 17005 (2017).
2.“Cu-In Halide Perovskite solar absorbers”
Xin-Gang Zhao, Dongwen Yang, Yuanhui Sun, Tianshu Li, Lijun Zhang*, Liping Yu, and Alex Zunger,J. Am. Chem. Soc.139, 6718 (2017).
3.“Design of Lead-free Inorganic Halide Perovskites for Solar Cells via Cation-transmutation”
Xin-Gang Zhao, Jihui Yang, Yuhao Fu, Dongwen Yang, Qiaoling Xu, Liping Yu, Su-Huai Wei*, and Lijun Zhang*,J. Am. Chem. Soc.139, 2630 (2017).
4.“Highly Oriented Low-Dimensional Tin Halide Perovskites with Enhanced Stability and Photovoltaic Performance”
Yuqin Liao, Hefei Liu, Wenjia Zhou, Dongwen Yang, Yuequn Shang, Zhifang Shi, Binghan Li, Xianyuan Jiang, Lijun Zhang*, Li Na Quan, Rafael Quintero-Bermudez, Brandon R.Sutherland, Qixi Mi, Edward H. Sargent, and Zhijun Ning*,J. Am. Chem. Soc.139, 6693 (2017).
5.“Sn(II)-Containing Phosphates as Optoelectronic Materials”
Qiaoling Xu, Yuwei Li, Lijun Zhang*, Weitao Zheng, David J. Singh*, and Yanming Ma*,Chem.Mater.29, 2459 (2017).
6.“Computer-Assisted Inverse Design of Inorganic Electrides”
Yunwei Zhang*, Hui Wang, Yanchao Wang, Lijun Zhang, and Yanming Ma*,Phys. Rev. X7, 011017 (2017).
7.“Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities”
Dongwen Yang, Jian Lv, Xingang Zhao, Qiaoling Xu, Yuhao Fu, Yiqiang Zhan, Alex Zunger*, and Lijun Zhang*,Chem. Mater.29, 524 (2017).
8.“Intrinsic ultralow lattice thermal conductivity of the unfilled skutterudite FeSb”
Yuhao Fu, David J. Singh, Wu Li*, and Lijun Zhang*,Phys. Rev. B94, 075122 (2016).
9.“Fast Diffusion of Native Defects and Impurities in Perovskite Solar Cell Material CHNHPbI”
Dongwen Yang, Wenmei Ming, Hongliang Shi, Lijun Zhang*, and Mao-Hua Du*,Chem. Mater.28, 4349 (2016).
10.“Tellurium Hydrides at High Pressures: High-Temperature Superconductors”
Xin Zhong, Hui Wang, Jurong Zhang, Hanyu Liu, Shoutao Zhang, Hai-Feng Song, Guochun Yang*,Lijun Zhang*, and Yanming Ma*,Phys. Rev. Lett.116, 057002 (2016).
11.“High-pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides”
Yuhao Fu, Xiangpo Du, Lijun Zhang*, Feng Peng, Miao Zhang, Chris J. Pickard, Richard J. Needs, David J. Singh*, Weitao Zheng, and Yanming Ma*,Chem. Mater.28, 1746 (2016).
12.“Stabilization of Fullerene-like Boron Cages by Transition Metal Encapsulation”
Jian Lv, Yanchao Wang, Lijun Zhang*, Haiqing Lin, Jijun Zhao* and Yanming Ma*,Nanoscale. 7, 10482 (2015).
13.“NH: a novel polymeric hydronitrogen as a high energy density material”
Ketao Yin, Yanchao Wang*, Hanyu Liu, Feng Peng and Lijun Zhang*,J. Mater. Chem. A3, 4188
(2015).
14.“Evolution of Electronic Structure as a Function of Layer Thickness in Group-VIB Transition Metal Dichalcogenides: Emergence of Localization Prototypes”
Lijun Zhang* and Alex Zunger*,Nano Lett.15, 949 (2015).
15.“Reinterpretation of the Expected Electronic Density of States of Semiconductor Nanowires”
Jianping Wang, Jun-Wei Luo, Lijun Zhang* and Alex Zunger*,Nano Lett.15, 88 (2015).
16.“Genetic Design of Enhanced Valley Splitting towards a Spin Qubit in Silicon”
Lijun Zhang, Jun-Wei Luo, A. L. Saraiva, Belita Koiller, and Alex Zunger,Nature Commun.4, 2396 (2013).
17.“The Birth of a Type-II Nanostructure: Carrier Localization and Optical Properties of Isoelectronically Doped CdSe:Te Nanocrystals”
Lijun Zhang*, Zhibin Lin*, Jun-Wei Luo, and Alberto Franceschetti*, ACS Nano 6, 8325 (2012).
18.“Genomic design of strong direct-gap optical transition in Si/Ge core/multishell nanowires”
Lijun Zhang*, Mayeul d’Avezac, Jun-Wei Luo, and Alex Zunger*,Nano Lett.12, 984 (2012).
19.“Excitons and excitonic fine structures in Si nanowires: Prediction of an electronic state crossover with diameter changes”
Lijun Zhang, Jun-Wei Luo, Alberto Franceschetti, and Alex Zunger*,Phys. Rev. B84, 075404 (2011).
20.“Wide InP nanowires with Wurtzite/Zincblende superlattice segments are type-II whereas narrower nanowires become type-I: An atomistic pseudopotential calculation”
Lijun Zhang, Jun-Wei Luo, Alex Zunger*, Nika Akopian, Val Zwiller, and Jean-Christophe Harmand,Nano Lett.10, 4055 (2010).
21.“Electronic structure and thermoelectric properties: PbBiTeand related intergrowth compounds”
Lijun Zhang and D. J. Singh,Phys. Rev. B81, 245119 (2010).
22.“Electronic structure of CsFeSband its alloy with cobalt: A magnetic compound related to the iron superconductors”
Lijun Zhang and D. J. Singh,Phys. Rev. B81, 193102 (2010).
23.“Electronic correlations in the iron pnictides”
M. M. Qazilbash, J. J. Hamlin, R. E. Baumbach, Lijun Zhang, D. J. Singh, M. B. Maple, and D. N. Basov,Nature Phys.5, 647 (2009). (First author in theoretical contributions)
24.“Comment on ‘Spectroscopic Signatures of Novel Oxygen-Defect Complexes in Stoichiometrically Controlled CdSe’”
Lijun Zhang, J. T-Thienprasert, M.-H. Du, D. J. Singh, and S. Limpijumnong,Phys. Rev. Lett.102, 209601 (2009).
25.“Density functional study of excess Fe in FeTe: Magnetism and doping”
Lijun Zhang, D. J. Singh, and M. H. Du,Phys. Rev. B79, 012506 (2009).
26.“Possible superconductivity in Fe-Sb based materials: Density functional study of LiFeSb”
Lijun Zhang, Alaska Subedi, D. J. Singh, and M. H. Du,Phys. Rev.B 78, 174520 (2008).
27.“CaCl-type high-pressure phase of magnesium hydride predicted byab initiophonon calculations”
Lijun Zhang, Yanchao Wang, Tian Cui, Yan Li, Yinwei Li, Zhi He, Yanming Ma*, and Guangtian Zou,Phys. Rev.B 75, 144109 (2007).
28.“Pressure-induced enhancement of electron-phonon coupling in superconducting CaCfrom first principles”
Lijun Zhang, Yu Xie, Tian Cui, Yan Li, Zhi He, Yanming Ma*, and Guangtian Zou,Phys. Rev.B 74, 184519 (2006).
承擔項目
國家自然科學基金優秀青年基金（信息四處），“半導體功能材料的能帶調控及新材料設計研究”，2018/01-2020/12，130萬元，進行中，主持
中組部青年千人計畫（信息學部），“半導體功能材料的物性研究和設計”，2015/01-今，200萬元，進行中，主持
國家重點研發計畫項目課題，“面向E級計算的軟體系統集成和典型套用示範研究”，2016/07-2020/12，170.50萬元，進行中，主持
國家自然科學基金面上項目，“高壓下碲化物基熱電功能材料設計及輸運性質研究”，2017/01-2020/12，60萬元，進行中，主持
國家自然科學基金青年項目，“以最佳化類石墨烯VIB族過渡金屬硫屬化合物的光電性質為目標的材料設計研究”，2015/01-2017/12，29萬元，進行中，主持
吉林省人才開發基金資助項目，“與新能源相關的功能材料設計研究”，2015/12-今，30萬元，進行中，主持
美國能源部逆向設計能源前沿研究中心子課題，“理論研究和發展”，2013/02-2014/09，25萬美元，已結題，主持
1.國家自然科學基金優秀青年基金（信息四處），“半導體功能材料的能帶調控及新材料設計研究”，2018/01-2020/12，130萬元，進行中，主持
2.中組部青年千人計畫（信息學部），“半導體功能材料的物性研究和設計”，2015/01-今，200萬元，進行中，主持
3.國家重點研發計畫項目課題，“面向E級計算的軟體系統集成和典型套用示範研究”，2016/07-2020/12，170.50萬元，進行中，主持
4.國家自然科學基金面上項目，“高壓下碲化物基熱電功能材料設計及輸運性質研究”，2017/01-2020/12，60萬元，進行中，主持
5.國家自然科學基金青年項目，“以最佳化類石墨烯VIB族過渡金屬硫屬化合物的光電性質為目標的材料設計研究”，2015/01-2017/12，29萬元，進行中，主持
6.吉林省人才開發基金資助項目，“與新能源相關的功能材料設計研究”，2015/12-今，30萬元，進行中，主持
7.美國能源部逆向設計能源前沿研究中心子課題，“理論研究和發展”，2013/02-2014/09，25萬美元，已結題，主持
榮譽獲獎
1. 2014年 中組部第十批青年千人計畫
2. 2017年 入選基金委優青
