基本信息
伍力源 男 中国科学院高能物理研究所
电子邮件： wuly@ihep.ac.cn
通信地址： 北京石景山区玉泉路19号乙
邮政编码： 100049
电子邮件： wuly@ihep.ac.cn
通信地址： 北京石景山区玉泉路19号乙
邮政编码： 100049
研究领域
多尺度模拟+机器学习
新能源材料设计
药物研发
招生信息
招生专业
0703Z2-生物无机化学
070304-物理化学
070301-无机化学
070304-物理化学
070301-无机化学
招生方向
多尺度模拟计算, 数据挖掘与数据分析
新能源材料设计
药物研发
新能源材料设计
药物研发
教育背景
2013-09--2019-03 北京邮电大学 博士
2006-09--2010-06 中国传媒大学 学士
2006-09--2010-06 中国传媒大学 学士
学历
博士研究生
学位
工学博士
工作经历
工作简历
2023-01~现在, 中国科学院高能物理研究所, 副研究员
2021-05~2022-12,中国科学院高能物理研究所, 助理研究员
2019-04~2021-04,北京邮电大学, 博士后
2021-05~2022-12,中国科学院高能物理研究所, 助理研究员
2019-04~2021-04,北京邮电大学, 博士后
出版信息
发表论文
[1] Minghui Sun, Zheng Dong, Liyuan Wu, Haodong Yao, Wenchao Niu, Deting Xu, Ping Chen, Himadri Shikhar Gupta, Yi Zhang, Yuhui Dong, Chunying Chen, Lina Zhao. Fast extraction of three-dimensional nanofiber orientation from WAXD patterns using machine learning. IUCrJ[J]. 2023, 第 3 作者10(3): https://journals.iucr.org/m/issues/2023/03/00/ro5032/.
[2] Li, Xue, Wu, Liyuan, Cheng, Shuying, Chen, Changcheng, Lu, Pengfei. First-principles study on optoelectronic properties of Cs2PbX4-PtSe2 van der Waals heterostructures. RSC ADVANCES[J]. 2022, 第 2 作者 通讯作者 12(4): 2292-2299, http://dx.doi.org/10.1039/d1ra08574c.
[3] Kuai, Yue, Chen, Changcheng, Abduryim, Elyas, Gao, Shuli, Chen, Wen, Wu, Ge, Wu, Liyuan, Dong, Chao, Zou, Weixia, Lu, Pengfei. A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2022, 第 7 作者24(38): 23737-23748,
[4] Kuai, Yue, Chen, Changcheng, Gao, Shuli, Chen, Wen, Hao, Jinbo, Wu, Ge, Chen, Feng, Guo, Shuangna, Wu, Liyuan, Lu, Pengfei. Two-dimensional SiP3 monolayer as promising anode with Record-high capacity and fast diffusion for Alkali-ion battery. APPLIED SURFACE SCIENCE[J]. 2022, 第 9 作者 通讯作者 586: http://dx.doi.org/10.1016/j.apsusc.2022.152510.
[5] Niu, Wenchao, Du, Zhongying, Zhang, Chunyu, Xu, Deting, Li, Jiaojiao, Sun, Minghui, Wu, Liyuan, Yao, Haodong, Zhao, Lina, Gao, Xueyun. Broken electron transfer pathway in enzyme: Gold clusters inhibiting TrxR1/Trx via cell studies and theory simulations. CHINESE CHEMICAL LETTERS[J]. 2022, 第 7 作者33(7): 3488-3491, http://dx.doi.org/10.1016/j.cclet.2022.04.004.
[6] Chen, Yingjie, Jia, Baonan, Guan, Xiaoning, Han, Lihong, Wu, Liyuan, Guan, Pengfei, Lu, Pengfei. Design and analysis of III-V two-dimensional van der Waals heterostructures for ultra-thin solar cells. APPLIED SURFACE SCIENCE[J]. 2022, 第 5 作者586: http://dx.doi.org/10.1016/j.apsusc.2022.152799.
[7] Zhang, Xinhui, Hao, Jinbo, Gao, Shuli, Wu, Liyuan, Wu, Ge, Chen, Feng, Gao, Le, Lu, Pengfei. Lithium decorated C3N as high capacity reversible hydrogen storage material: Insights from density functional theory. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2022, 第 4 作者 通讯作者 122(23): https://www.doi.org/10.1002/qua.26997.
[8] Zhao, Huiyan, Han, Lihong, Jia, Baonan, Chen, Yingjie, Guan, Xiaoning, Wu, Liyuan, Lu, Pengfei. Type-II van der Waals Heterostructures Based on AsP and Transition Metal Dichalcogenides: Great Promise for Applications in Solar Cell. PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS[J]. 2022, 第 6 作者16(6): http://dx.doi.org/10.1002/pssr.202200043.
[9] Xu, Deting, Wu, Liyuan, Yao, Haodong, Zhao, Lina. Catalase-Like Nanozymes: Classification, Catalytic Mechanisms, and Their Applications. SMALL. 2022, 第 2 作者18(37): http://dx.doi.org/10.1002/smll.202203400.
[10] Wu, Liyuan, Dong, Chao, Chen, Changcheng, Zhao, Lina, Lu, Pengfei, Yang, Kesong. Interface Engineering at Sc2C MXene and Germanium Iodine Perovskite Interface: First-Principles Insights. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2022, 第 1 作者13(50): 11801-11810, http://dx.doi.org/10.1021/acs.jpclett.2c0347811801.
[11] Gang Liu, Jingjing Li, Chao Dong, Liyuan Wu, Dan Liang, Huawei Cao, Pengfei Lu. Hydrogen evolution reaction on in-plane platinum and palladium dichalcogenides via single-atom doping. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY[J]. 2021, 第 4 作者46(35): 18294-18304, http://dx.doi.org/10.1016/j.ijhydene.2021.02.206.
[12] Chen, Changcheng, Kuai, Yue, Li, Xue, Hao, Jinbo, Li, Long, Liu, Ying, Ma, Xiaoguang, Wu, Liyuan, Lu, Pengfei. Impact of Halogen Substitution on the Electronic and Optical Properties of 2D Lead-Free Hybrid Perovskites. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 第 8 作者 通讯作者 125(28): 15742-15750, http://dx.doi.org/10.1021/acs.jpcc.1c04770.
[13] Zhu, Pengfei, Zu, Yunxiao, Kuai, Yue, Gao, Shuli, Wu, Ge, Chen, Wen, Wu, Liyuan, Chen, Changcheng, Liu, Gang. Novel high-performance anodic materials for lithium ion batteries: two-dimensional Sn-X (X = C, Si, and Ge) alloy monolayers. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2021, 第 7 作者 通讯作者 23(46): 26428-26437, http://dx.doi.org/10.1039/d1cp04426e.
[14] Zhao, Huiyan, Wang, Qian, Jia, Baonan, Han, Lihong, Chen, Wen, Hao, Jinbo, Wu, Liyuan, Lu, Pengfei, Guan, Pengfei. Quasiparticle energies and significant exciton effects of monolayered blue arsenic phosphorus conformers. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2021, 第 7 作者 通讯作者 23(41): 23808-23817, http://dx.doi.org/10.1039/d1cp02330f.
[15] Zhu, Pengfei, Zhao, Huiyan, Li, Xue, Zu, Yunxiao, Wu, Liyuan, Chen, Changcheng, Liu, Gang. First principles study on planar mechanism and heterostructures of ultraflat stanene. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES[J]. 2021, 第 5 作者 通讯作者 134: http://dx.doi.org/10.1016/j.physe.2021.114908.
[16] Chen, Yingjie, Wu, Liyuan, Liang, Dan, Lu, Pengfei, Wang, Jianjun, Chen, Jun, Cao, Huawei, Han, Lihong. Investigation of native defects and impurities in X-N (X = Al, Ga, In). COMPUTATIONAL MATERIALS SCIENCE[J]. 2021, 第 2 作者 通讯作者 188: http://dx.doi.org/10.1016/j.commatsci.2020.110169.
[17] Gao, Shuli, Hao, Jinbo, Zhang, Xinhui, Li, Long, Zhang, Chunling, Wu, Liyuan, Ma, Xiaoguang, Lu, Pengfei, Liu, Gang. Two dimension transition metal boride Y2B2 as a promising anode in Li-ion and Na-ion batteries. COMPUTATIONAL MATERIALS SCIENCE[J]. 2021, 第 6 作者 通讯作者 200: http://dx.doi.org/10.1016/j.commatsci.2021.110776.
[18] Han, Lihong, Chen, Xingrun, Wang, Qian, Chen, Yingjie, Xu, Mingfei, Wu, Liyuan, Chen, Changcheng, Lu, Pengfei, Guan, Pengfei. Neural network potential for studying the thermal conductivity of Sn. COMPUTATIONAL MATERIALS SCIENCE[J]. 2021, 第 6 作者200: http://dx.doi.org/10.1016/j.commatsci.2021.110829.
[19] Wu, Ge, Gao, Shuli, Chen, Changcheng, Kuai, Yue, Li, Long, Hao, Jinbo, Jia, Baonan, Wu, Liyuan, Lu, Pengfei. Promising two-dimensional T-silicene as high capacity anode for rechargeable lithium-ion and sodium-ion batteries. CHEMICAL PHYSICS LETTERS[J]. 2021, 第 8 作者 通讯作者 784: http://dx.doi.org/10.1016/j.cplett.2021.139097.
[20] Wang, Qian, Wu, Liyuan, Urban, Alexander, Cao, Huawei, Lu, Pengfei. Anisotropic to Isotropic Transition in Monolayer Group-IV Tellurides. MATERIALS[J]. 2021, 第 2 作者14(16): http://dx.doi.org/10.3390/ma14164495.
[21] Zhao, Huiyan, Zhu, Pengfei, Wang, Qian, Cao, Huawei, Wu, Ge, Hao, Jinbo, Han, Lihong, Wu, Liyuan, Lu, Pengfei. Electronic and Topological Properties of Ultraflat Stanene Functionalized by Hydrogen and Halogen Atoms. JOURNAL OF ELECTRONIC MATERIALS[J]. 2021, 第 8 作者 通讯作者 50(6): 3334-3340, http://dx.doi.org/10.1007/s11664-021-08833-8.
[22] Hao, Jinbo, Wei, Feng, Zhang, Xinhui, Li, Long, Chen, Changcheng, Wu, Ge, Wu, Liyuan, Liang, Dan, Ma, Xiaoguang, Lu, Pengfei, Song, Haizhi. An investigation of Li-decorated N-doped penta-graphene for hydrogen storage. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY[J]. 2021, 第 7 作者 通讯作者 46(50): 25533-25542, http://dx.doi.org/10.1016/j.ijhydene.2021.05.089.
[23] Lu, Zhixing, Liang, Dan, Ping, Xiaofan, Xing, Lei, Wang, Zechao, Wu, Liyuan, Lu, Pengfei, Jiao, Liying. 1D/2D Heterostructures as Ultrathin Catalysts for Hydrogen Evolution Reaction. SMALL[J]. 2020, 第 6 作者16(44): https://www.webofscience.com/wos/woscc/full-record/WOS:000577277200001.
[24] Wu, Liyuan, Zhu, Pengfei, Wang, Qian, Chen, Xianchun, Lu, Pengfei. Strain-induced energetic and electronic properties of stanene nanomeshes. JOURNAL OF COMPUTATIONAL ELECTRONICS[J]. 2020, 第 1 作者19(4): 1357-1364, https://www.webofscience.com/wos/woscc/full-record/WOS:000548490600001.
[25] Guan, Xiaoning, Zhang, Ru, Jia, Baonan, Wu, LiYuan, Zhou, Bo, Fan, Ling, Liu, Gang, Wang, You, Lu, Pengfei, Peng, GangDing. Fluorine passivation of ODC defects in amorphous germanium dioxide. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2020, 第 4 作者550: http://dx.doi.org/10.1016/j.jnoncrysol.2020.120388.
[26] Liu, Gang, Xu, Shuai, Wu, Liyuan, Zhang, Jianhang, Wang, Qian, Lu, Pengfei. First-principles study of two-dimensional zirconium nitrogen compounds: Anode materials for Na-ion batteries. MATERIALS CHEMISTRY AND PHYSICS[J]. 2020, 第 3 作者 通讯作者 250: http://dx.doi.org/10.1016/j.matchemphys.2020.123028.
[27] Wang, Qian, Li, Xiang, Wu, Liyuan, Lu, Pengfei, Di, Zengfeng. Electronic and Interface Properties in Graphene Oxide/Hydrogen-Passivated Ge Heterostructure. PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS[J]. 2019, 第 3 作者13(2): https://www.webofscience.com/wos/woscc/full-record/WOS:000458298200005.
[28] Qian Wang, Lihong Han, Liyuan Wu, Tao Zhang, Shanjun Li, Pengfei Lu. Strain Effect on Thermoelectric Performance of InSe Monolayer. NANOSCALERESEARCHLETTERS[J]. 2019, 第 3 作者14(1): 1-9, http://dx.doi.org/10.1186/s11671-019-3113-9.
[29] Zhang, Jianhang, Liu, Gang, Hu, Hechen, Wu, Liyuan, Wang, Qian, Xin, Xiangjun, Li, Shanjun, Lu, Pengfei. Graphene-like carbon-nitrogen materials as anode materials for Li-ion and mg-ion batteries. APPLIED SURFACE SCIENCE[J]. 2019, 第 4 作者487: 1026-1032, http://dx.doi.org/10.1016/j.apsusc.2019.05.155.
[30] Zhang, Jianhang, Liu, Gang, Hu, Hechen, Wu, Liyuan, Wang, Qian, Xin, Xiangjun, Li, Shanjun, Lu, Pengfei. Graphene-like carbon-nitrogen materials as anode materials for Li-ion and mg-ion batteries. APPLIED SURFACE SCIENCE[J]. 2019, 第 4 作者487: 1026-1032, http://dx.doi.org/10.1016/j.apsusc.2019.05.155.
[31] Liu, Lina, Wu, Juanxia, Wu, Liyuan, Ye, Meng, Liu, Xiaozhi, Wang, Qian, Hou, Siyao, Lu, Pengfei, Sun, Lifei, Zheng, Jingying, Xing, Lei, Gu, Lin, Jiang, Xiangwei, Xie, Liming, Jiao, Liying. Phase-selective synthesis of 1T ' MoS2 monolayers and heterophase bilayers. NATURE MATERIALS[J]. 2018, 第 3 作者17(12): 1108-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000451054600016.
[32] Wang, Qian, Quhe, Ruge, Guan, Zixuan, Wu, Liyuan, Bi, Jingyun, Guan, Pengfei, Lei, Ming, Lu, Pengfei. High n-type and p-type thermoelectric performance of two-dimensional SiTe at high temperature. RSC ADVANCES[J]. 2018, 第 4 作者8(38): 21280-21287, http://dx.doi.org/10.1039/c8ra02270d.
[33] Wu, Liyuan, Lu, Pengfei, Li, Yuheng, Sun, Yan, Wong, Joseph, Yang, Kesong. First- principles characterization of twodimensional ( CH3( CH2) 3NH3) 2( CH3NH3) n-1GenI3n+1 perovskite. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2018, 第 1 作者6(47): 24389-24396, http://dx.doi.org/10.1039/c8ta10055a.
[34] Wu, Liyuan, Lu, Pengfei, Quhe, Ruge, Wang, Qian, Yang, Chuanghua, Guan, Pengfei, Yang, Kesong. Stanene nanomeshes as anode materials for Na-ion batteries. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2018, 第 1 作者6(17): 7933-7941, https://www.webofscience.com/wos/woscc/full-record/WOS:000431621700068.
[35] Gan, Yan, Quhe, Ruge, Wu, Liyuan, Hou, Siyao, Bi, Jingyun, Liu, Gang, Lu, Pengfei. Structural and electronic properties of PdS2 nanoribbons. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS[J]. 2018, 第 3 作者458: 310-316, http://dx.doi.org/10.1016/j.jmmm.2018.03.044.
[36] Wu, Liyuan, Wang, Qian, Yang, Chuanghua, Quhe, Ruge, Guan, Pengfei, Lu, Pengfei. Crown oxygen-doping graphene with embedded main-group metal atoms. EUROPEAN PHYSICAL JOURNAL B[J]. 2018, 第 1 作者91(2): https://www.webofscience.com/wos/woscc/full-record/WOS:000427313000008.
[37] 毕京云, 韩利红, 王倩, 伍力源, 屈贺如歌, 芦鹏飞. Thermoelectric properties of two-dimensional hexagonal indium–VA. 中国物理B：英文版[J]. 2018, 第 4 作者27(2): 502-509, http://lib.cqvip.com/Qikan/Article/Detail?id=674762598.
[38] JingYunBi, LiHongHan, QianWang, LiYuanWu, RugeQuhe, PengFeiLu. Thermoelectric properties of two-dimensional hexagonal indium-VA. Chinese Physics B[J]. 2018, 第 4 作者27(2): 26802-026802, https://cpb.iphy.ac.cn/EN/10.1088/1674-1056/27/2/026802.
[39] Xu, Wenqi, Lu, Pengfei, Wu, Liyuan, Yang, Chuanghua, Song, Yuxin, Guan, Pengfei, Han, Lihong, Wang, Shumin. Electronic and Optical Properties of Arsenene Under Uniaxial Strain. IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS[J]. 2017, 第 3 作者23(1): https://www.webofscience.com/wos/woscc/full-record/WOS:000400897500001.
[40] Lu, Pengfei, Wu, Liyuan, Yang, Chuanghua, Liang, Dan, Quhe, Ruge, Guan, Pengfei, Wang, Shumin. Quasiparticle and optical properties of strained stanene and stanane. SCIENTIFIC REPORTS[J]. 2017, 第 2 作者7(1): http://dx.doi.org/10.1038/s41598-017-04210-w.
[41] Liang, Dan, Quhe, Ruge, Chen, Yingjie, Wu, Liyuan, Wang, Qian, Guan, Pengfei, Wang, Shumin, Lu, Pengfei. Electronic and excitonic properties of two-dimensional and bulk InN crystals. RSC ADVANCES[J]. 2017, 第 4 作者7(67): 42455-42461, http://dx.doi.org/10.1039/c7ra07640a.
[42] Hou, Siyao, Han, Lihong, Wu, Liyuan, Quhe, Ruge, Lu, Pengfei. Robust quasi-ohmic contact against angle rotation in noble transition-metal-dichalcogenide/graphene heterobilayers. RSC ADVANCES[J]. 2017, 第 3 作者7(73): 45896-45901, https://www.webofscience.com/wos/woscc/full-record/WOS:000412211300002.
[43] Liang, Dan, He, Hai, Lu, Pengfei, Wu, Liyuan, Zhang, Chunfang, Guan, Pengfei, Wang, Shumin. Tunable band gaps in stanene/MoS2 heterostructures. JOURNAL OF MATERIALS SCIENCE[J]. 2017, 第 4 作者52(10): 5799-5806, http://dx.doi.org/10.1007/s10853-017-0817-z.
[44] PengFeiLu, LiYuanWu, YangYang, WeiZhengWang, ChunFangZhang, ChuangHuaYang, RuiSu, JunChen. Stable structure and optical properties of fused silica with NBOHC-E' defect. Chinese Physics B[J]. 2016, 第 2 作者25(8): 86801-086801, https://cpb.iphy.ac.cn/EN/10.1088/1674-1056/25/8/086801.
[45] Wu, Liyuan, Lu, Pengfei, Yang, Chuanghua, Liang, Dan, Zhang, Chunfang, Wang, Shumin. The effect of Bi-In hetero-antisite defects in In1-xPBix alloy. JOURNAL OF ALLOYS AND COMPOUNDS[J]. 2016, 第 1 作者674: 21-25, http://dx.doi.org/10.1016/j.jallcom.2016.02.269.
[46] He, Hai, Lu, Pengfei, Wu, Liyuan, Zhang, Chunfang, Song, Yuxin, Guan, Pengfei, Wang, Shumin. Structural Properties and Phase Transition of Na Adsorption on Monolayer MoS2. NANOSCALE RESEARCH LETTERS[J]. 2016, 第 3 作者11: http://dx.doi.org/10.1186/s11671-016-1550-2.
[47] Wu, Liyuan, Lu, Pengfei, Bi, Jingyun, Yang, Chuanghua, Song, Yuxin, Guan, Pengfei, Wang, Shumin. Structural and electronic properties of two-dimensional stanene and graphene heterostructure. NANOSCALE RESEARCH LETTERS[J]. 2016, 第 1 作者11(1): http://dx.doi.org/10.1186/s11671-016-1731-z.
[48] Wang, Weizheng, Lu, Pengfei, Han, Lihong, Zhang, Chunfang, Wu, Liyuan, Guan, Pengfei, Su, Rui, Chen, Jun. Structural and electronic properties of peroxy linkage defect and its interconversion in fused silica. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2016, 第 5 作者434: 96-101, http://dx.doi.org/10.1016/j.jnoncrysol.2015.12.018.
[49] Tao, Lele, Yang, Chuanghua, Wu, Liyuan, Han, Lihong, Song, Yuxin, Wang, Shumin, Lu, Pengfei. Tension-induced mechanical properties of stanene. MODERN PHYSICS LETTERS B[J]. 2016, 第 3 作者30(12): http://dx.doi.org/10.1142/S0217984916501463.
[50] Guan, Xinhong, Lu, Pengfei, Wu, Liyuan, Han, Lihong, Liu, Gang, Song, Yuxin, Wang, Shumin. Thermoelectric properties of SnSe compound. JOURNAL OF ALLOYS AND COMPOUNDS[J]. 2015, 第 3 作者643: 116-120, https://www.webofscience.com/wos/woscc/full-record/WOS:000355149300017.
[51] Liu Meng, Lu Pengfei, Yang Yang, Wu Liyuan, Su Rui, Chen Jun. Structural and Optical Properties of Point Defects in α-SiO_2 Cluster. COMMUNICATIONS IN THEORETICAL PHYSICS[J]. 2015, 第 4 作者64(2): 244-248, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=5485626&detailType=1.
[52] Pan, Wenwu, Steele, J A, Wang, Peng, Wang, Kai, Song, Yuxin, Yue, Li, Wu, Xiaoyan, Xu, Hao, Zhang, Zhenpu, Xu, Shijie, Lu, Pengfei, Wu, Liyuan, Gong, Qian, Wang, Shumin. Raman scattering studies of dilute InP1-xBix alloys reveal unusually strong oscillator strength for Bi-induced modes. SEMICONDUCTOR SCIENCE AND TECHNOLOGY[J]. 2015, 第 12 作者30(9): https://www.webofscience.com/wos/woscc/full-record/WOS:000357666500004.
[53] Huang, Chen, Han, Lihong, Wu, Liyuan, Su, Rui, Chen, Jun, Lu, Pengfei. Electronic structure and optical properties of boron-sulfur symmetric codoping in 4 x 4 graphene systems. EUROPEAN PHYSICAL JOURNAL B[J]. 2015, 第 3 作者88(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000355742100001.
[2] Li, Xue, Wu, Liyuan, Cheng, Shuying, Chen, Changcheng, Lu, Pengfei. First-principles study on optoelectronic properties of Cs2PbX4-PtSe2 van der Waals heterostructures. RSC ADVANCES[J]. 2022, 第 2 作者 通讯作者 12(4): 2292-2299, http://dx.doi.org/10.1039/d1ra08574c.
[3] Kuai, Yue, Chen, Changcheng, Abduryim, Elyas, Gao, Shuli, Chen, Wen, Wu, Ge, Wu, Liyuan, Dong, Chao, Zou, Weixia, Lu, Pengfei. A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2022, 第 7 作者24(38): 23737-23748,
[4] Kuai, Yue, Chen, Changcheng, Gao, Shuli, Chen, Wen, Hao, Jinbo, Wu, Ge, Chen, Feng, Guo, Shuangna, Wu, Liyuan, Lu, Pengfei. Two-dimensional SiP3 monolayer as promising anode with Record-high capacity and fast diffusion for Alkali-ion battery. APPLIED SURFACE SCIENCE[J]. 2022, 第 9 作者 通讯作者 586: http://dx.doi.org/10.1016/j.apsusc.2022.152510.
[5] Niu, Wenchao, Du, Zhongying, Zhang, Chunyu, Xu, Deting, Li, Jiaojiao, Sun, Minghui, Wu, Liyuan, Yao, Haodong, Zhao, Lina, Gao, Xueyun. Broken electron transfer pathway in enzyme: Gold clusters inhibiting TrxR1/Trx via cell studies and theory simulations. CHINESE CHEMICAL LETTERS[J]. 2022, 第 7 作者33(7): 3488-3491, http://dx.doi.org/10.1016/j.cclet.2022.04.004.
[6] Chen, Yingjie, Jia, Baonan, Guan, Xiaoning, Han, Lihong, Wu, Liyuan, Guan, Pengfei, Lu, Pengfei. Design and analysis of III-V two-dimensional van der Waals heterostructures for ultra-thin solar cells. APPLIED SURFACE SCIENCE[J]. 2022, 第 5 作者586: http://dx.doi.org/10.1016/j.apsusc.2022.152799.
[7] Zhang, Xinhui, Hao, Jinbo, Gao, Shuli, Wu, Liyuan, Wu, Ge, Chen, Feng, Gao, Le, Lu, Pengfei. Lithium decorated C3N as high capacity reversible hydrogen storage material: Insights from density functional theory. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2022, 第 4 作者 通讯作者 122(23): https://www.doi.org/10.1002/qua.26997.
[8] Zhao, Huiyan, Han, Lihong, Jia, Baonan, Chen, Yingjie, Guan, Xiaoning, Wu, Liyuan, Lu, Pengfei. Type-II van der Waals Heterostructures Based on AsP and Transition Metal Dichalcogenides: Great Promise for Applications in Solar Cell. PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS[J]. 2022, 第 6 作者16(6): http://dx.doi.org/10.1002/pssr.202200043.
[9] Xu, Deting, Wu, Liyuan, Yao, Haodong, Zhao, Lina. Catalase-Like Nanozymes: Classification, Catalytic Mechanisms, and Their Applications. SMALL. 2022, 第 2 作者18(37): http://dx.doi.org/10.1002/smll.202203400.
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科研活动
科研项目
（ 1 ） 基于机器学习势的新型杂化钙钛矿性能预测与验证, 负责人, 国家任务, 2023-01--2025-12
（ 2 ） 基于机器学习的杂化钙钛矿材料设计及性质研究, 负责人, 研究所自选, 2022-01--2023-12
（ 3 ） 二维MXene及其异质结构的光电特性研究, 负责人, 其他任务, 2019-12--2021-04
（ 4 ） 用于无中微子双贝塔衰变探测的掺碲液体闪烁体技术研发, 参与, 国家任务, 2022-01--2025-12
（ 2 ） 基于机器学习的杂化钙钛矿材料设计及性质研究, 负责人, 研究所自选, 2022-01--2023-12
（ 3 ） 二维MXene及其异质结构的光电特性研究, 负责人, 其他任务, 2019-12--2021-04
（ 4 ） 用于无中微子双贝塔衰变探测的掺碲液体闪烁体技术研发, 参与, 国家任务, 2022-01--2025-12
参与会议
（1）锡烯纳米网状结构作为金属离子电池负极材料 计算材料科学与技术全国博士后学术论坛 2020-09-25
（2）Structural and electronic properties of two‐dimensional hybrid stanene and graphene heterostructure 第十九届国际分子束外延会议 2016-09-07
（2）Structural and electronic properties of two‐dimensional hybrid stanene and graphene heterostructure 第十九届国际分子束外延会议 2016-09-07