| 学术论文: |
长期从事材料计算模拟与新材料设计研究工作,基于高通量材料计算与人工智能机器学习算法结合的思路,发展了具有自主知识产权的材料设计新方法与软件JAMIP (Jilin Artificial-intelligence aided Materials-design Integrated Package, http://www.jamip-code.com),为国内外同行开展新材料设计研究提供了有效工具;聚焦半导体光电材料,开展新材料设计与光电性能调控研究,多个从理论上设计的新材料与新性能调控策略得到实验证实,取得了对半导体光电材料与器件领域有指引作用的创新成果。 共发表SCI论文240余篇,所有论文共被引用28000余次,H因子76。 自2014年回国,作为第一/通讯作者在Science, Nature, Nature Reviews Materials, Nature Photonics, Nature Energy, Nature Communications, Phys. Rev. Lett., J. Am. Chem. Soc., Adv. Mater.等期刊发表论文110余篇。 代表性论文(标注*为通讯作者): [48] “Pressure Encryption toward Physically Uncopiable Anti-counterfeiting”, D Zhao, S Li, Y Su, J Qin, G Xiao*, Y Shang, X Yin, P Lv, F Wang, J Yang, Z Liu, F Lan, Q Zeng, L Zhang*, F Gao*, B Zhou*, Nat. Commun. 16, 6203 (2025) [47] “Role of Self-assembled Molecules in Halide Perovskite Optoelectronics: An Atomic-scale Perspective”, X Wang#, X Wang#, X Wang, M Li, H Li, Y Fu*, L Zhang*, Natl. Sci. Rev. 12, nwaf150 (2025) [46] “Dramatic Switchable Polarities in Conduction Type and Self-driven Photocurrent of BiI3 via Pressure Engineering”, L Yue, F Tian, R Liu, Z Li, R Li, C Li, Y Li, D Yang, X Li, Q Li*, L Zhang*, B Liu*, Natl. Sci. Rev. 12, nwae419 (2025) [45] “Discovery of a Structure Mediated by a Reconstructed Aluminum Atomic Layer at an AlN/Al2O3 Interface”, Z Jiang, Z Huang, Q Liang, X Wu, J Ben, D Wang, X Zhou, W Li, A Wei, N Wang, X Sun, D Li*, L Zhang*, W Zhang*, Nano Lett. 25, 8782 (2025) [44] “Luminescence from Localized States in Solids: A First‐Principles Perspective”, Z Li#, J Xie#, M Faizan, S Wang, X Chen*, L Zhang*, Adv. Funct. Mater. 35, 2422716 (2025) [43] “Homogenized Contact in All-Perovskite Tandems using Tailored 2D Perovskite”, Y Wang#, R Li#, C Liu#, X Wang#, C Chosy#, Y Haruta, A Bui, M Li, H Sun, X Zheng, H Luo, P Wu, H Gao, W Sun, Y Nie, H Zhu, K Zhou, H Nguyen, X Luo, L Li, C Xiao, M Saidaminov, S Stranks*, L Zhang*, H Tan*, Nature, 635, 867 (2024) [42] “Designing Semiconductor Materials and Devices in the Post-Moore Era by Tackling Computational Challenges with Data-driven Strategies”, J Xie#, Y Song#, M Faizan, Z Li, T Li, Y Fu, X Wang*, L Zhang*, Nat. Compu. Sci. 4, 322 (2024) [41] “Reducing Nonradiative Recombination for Highly Efficient Inverted Perovskite Solar Cells via A Synergistic Bimolecular Interface”, S Xiong#, F Tian#, F Wang#, A Cao, Z Chen, S Jiang, D Li, B Xu, H Wu, Y Zhang, H Qiao, Z Ma, J Tang, H Zhu, Y Yao, X Liu, L Zhang*, Z Sun, M Fahlman, H Chu, F Gao*, Q Bao*, Nat. Commun. 15. 5607 (2024) [40] “Phase-stable Indium Sulfide Achieves an Energy Conversion Efficiency of 14.3% for Solar- assisted Carbon Dioxide Reduction to Formate”, Q Zhang#, J Gao#, X Wang#, J Zeng, J Li, Z Wang, H He, J Luo, Y Zhao, L Zhang*, M Gratzel*, X Zhang*, Joule 8, 1 (2024) [39] “High‐Efficiency Inverted Perovskite Solar Cells via In Situ Passivation Directed Crystallization”, Y Huang#, K Yan#, X Wang#, B Li, B Niu, M Yan, Z Shen, K Zhou, Y Fang, X Yu, H Chen, L Zhang*, C Li*, Adv. Mater. 36, 2408101 (2024) [38] “Advanced Organic–Inorganic Hybrid Materials for Optoelectronic Applications”, K Zhou, B Qi, Z Liu, X Wang, Y Sun*, L Zhang*, Adv. Funct. Mater. 34, 2411671 (2024) [37] “Highly Stable O-Tolylbiguanide-CsPbI3 Quantum Dots and Light-Emitting Diodes by Synergistic Supramolecular Passivation”, H Li#, Y Hua#, X Wang#, C Ge, Z Wang, Y Song, X Li, A Wang, Y Yang, K Zhou, W Dong, W Zheng, L Zhang*, X Zhang*, Q Dong*, Adv. Funct. Mater. 34, 2311554 (2024) [36] “Minimizing Buried Interfacial Defects for Efficient Inverted Perovskite Solar Cells”, S Zhang, F Ye, X Wang, R Chen, H Zhang, L Zhan, X Jiang, Y Li, X Ji, S Liu, M Yu, F Yu, Y Zhang, R Wu, Z Liu, Z Ning, D Neher, L Han, Y Lin, H Tian, W Chen*, M Stolterfoht*, L Zhang*, W Zhu*, Y Wu*, Science 380, 404 (2023) [35] “Separating Crystal Growth from Nucleation Enables the In Situ Controllable Synthesis of Nanocrystals for Efficient Perovskite Light-Emitting Diodes”, W Yu, M Wei*, Z Tang, H Zou, L Li, Y Zou, S Yang, Y Wang, Y Zhang, X Li, H Guo, C Wu, B Qu, Y Gao, G Lu, S Wang, Z Chen, Z Liu, H Zhou, B Wei, Y Liao*, L Zhang*, Y Li, Q Gong, E Sargent, L Xiao*, Adv. Mater. 35, 2301114 (2023) [34] “Mechanically and Operationally Stable Flexible Inverted Perovskite Solar Cells with 20.32% Efficiency by a Simple Oligomer Cross-Linking Method”, N Jiang, B Xing, Y Wang, H Zhang, D Yin, Y Liu, Y Bi, L Zhang*, J Feng* and H Sun*, Sci. Bull 67, 794 (2022) [33] “Design of Organic-Inorganic Hybrid Heterostructured Semiconductors via High-Throughput Materials Screening for Optoelectronic Applications”, Y Li, J Yang, R Zhao, Y Zhang, X Wang, X He, Y Fu and L Zhang*, J. Am. Chem. Soc. 144, 16656 (2022) [32] “Excitation-dependent Perovskite/polymer Films for Ultraviolet Visualization”, J Sun, T Li, L Dong*, Q Hua, S Chang, H Zhong, L Zhang*, C Shan*, C Pan*, Sci. Bull. 67, 1755 (2022) [31] “Flexible All-Perovskite Tandem Solar Cells Approaching 25% Efficiency with Molecule-Bridged Hole-Selective Contact”, L Li, Y Wang, X Wang, R Lin, X Luo, Z Liu, K Zhou, S Xiong, Q Bao, G Chen, Y Tian, Y Deng, K Xiao, J Wu, M Saidaminov, H Lin, C Ma, Z Zhao, Y Wu, L Zhang* and H Tan*, Nat. Energy 7, 708 (2022) [30] “Molecular Engineering towards Efficient white-Light-Emitting Perovskite”, M Zhang, L Zhao, J Xie, Q Zhang, X Wang, N Yaqoob, Z Yin, P Kaghazchi, S Zhang, H Li, C Zhang, L Wang, L Zhang*, W Xu*, and J Xing*, Nat. Commun. 12, 4890 (2021) [29] “JAMIP: an Artificial-Intelligence Aided Data-Driven Infrastructure for Computational Materials Informatics”, X Zhao, K Zhou, B Xing, R Zhao, S Luo, T Li, Y Sun, G Na, J Xie, X Yang, X Wang, X Wang, X He, J Lv, Y Fu* and L Zhang*, Sci. Bull. 66, 1973 (2021) [28] “Alternative Lone-Pair ns2-Cation-Based Semiconductors Beyond Lead Halide Perovskites for Optoelectronic Applications”, T Li, S Luo, X Wang, and L Zhang*, Adv. Mater. 33, 2008574 (2021) [27] “High Color-Rendering Index and Stable White Light-Emitting Diodes by Assembling Two Broadband Emissive Self-Trapped Excitons”, Z. Ma, Z. Shi*, D. Yang, Y. Li, F. Zhang, L. Wang, X. Chen, D. Wu, Y. Tian, Y. Zhang, L Zhang*, X. Li, and C. Shan*, Adv. Mater. 33, 2001367 (2021) [26] “New Polymorphs of 2D Indium Selenide with Enhanced Electronic Properties”, Y. Sun, Y. Li, T. Li, K. Biswas, A. Patanè, and L Zhang*, Adv. Funct. Mater. 30, 2001920 (2020) [25] “Efficient and Stable Ruddlesden-Popper Perovskite Solar Cell with Tailored Interlayer Molecular Interaction”, H. Ren, S. Yu, L. Chao, Y. Xia, Y. Sun, S. Zuo, F. Li, T. Niu, Y. Yang, H. Ju, B. Li, H. Du, X. Gao, J. Zhang, J. Wang, L Zhang*, Y. Chen*, and W. Huang*, Nat. Photonics 14, 154 (2020) [24] “Colloidal Synthesis of Ternary Copper Halides Nanocrystals for High-Efficiency Deep-Blue Light-Emitting Diodes with a Half-Lifetime above 100 Hours”, L. Wang, Z. Shi*, Z. Ma, D. Yang, F. Zhang, X. Ji, M. Wang, X. Chen, G. Na, S. Chen, D. Wu, Y. Zhang, X. Li, L Zhang*, and C. Shan*, Nano Lett. 20, 3568 (2020) [23] “Van der Waals SnSe2(1−x)S2x Alloys: Composition‐Dependent Bowing Coefficient and Electron–Phonon Interaction”, Z. R. Kudrynskyi, X. Wang, J. Sutcliffe, M. A. Bhuiyan, Y. Fu, Z. Yang, O. Makarovsky, L. Eaves, A. Solomon, V. T. Maslyuk, Z. D. Kovalyuk, L. Zhang*, A. Patanè*, Adv. Funct. Mater. 30, 1908092 (2020) [22] “Stable and Luminescent Halide Perovskite Fabricated in Water”, G Na and L Zhang*, Light Sci. Appl 9, 106 (2020) [21] “Bottom-up Growth of Homogeneous Moiré Superlattices in Bismuth Oxychloride Spiral Nanosheets”, L. Liu, Y. Sun, X. Cui*, K. Qi, X. He, Q. Bao, W. Ma, J. Lu, H. Fang, P. Zhang, L. Zheng, L. Yu, D. J. Singh, Q. Xiong, L Zhang*, and W. Zheng*, Nat. Commun. 10, 4472 (2019) [20] “Atomically Engineering Activation Sites onto Metallic 1T-MoS2 Catalysts for Enhanced Electrochemical Hydrogen Evolution”, Y. Huang, Y. Sun, X. Zheng, T. Aoki, B. Pattengale, J. Huang, X. He, W. Bian, S. Younan, N. Williams, J. Hu, J. Ge, N. Pu, X. Yan, X. Pan, L Zhang*, Y. Wei*, and J. Gu*, Nat. Commun. 10, 982 (2019) [19] “Strain Engineering in Perovskite Solar Cells and its Impacts on Carrier Dynamics”, C. Zhu, X. Niu, Y. Fu, N. Li, C. Hu, Y. Chen, X. He, G. Na, P. Liu, H. Zai, Y. Ge, Y. Lu, X. Ke, Y. Bai, S. Yang, P. Chen, Y. Li, M. Sui, L Zhang*, H. Zhou* and Q. Chen*, Nat. Commun. 10, 815 (2019) [18] “Ultrasensitive Detection of miRNA with an Antimonene-Based Surface Plasmon Resonance Sensor”, T. Xue, W. Liang, Y. Li, Y. Sun, Y. Xiang, Y. Zhang, Z. Dai, Y. Duo, L. Wu, K. Qi, B. N. Shivananju, L Zhang*, X. Cui*, H. Zhang*, and Q. Bao*, Nat. Commun. 10, 28 (2019) [17] “Thermochromic Lead‐Free Halide Double Perovskites”, W Ning, X Zhao, J Klarbring, S Bai, F Ji, F Wang, S Simak, Y Tao, X Ren, L Zhang*, W Huang, I Abrikosov, and Feng Gao*, Adv. Funct. Mater. 29, 1807375 (2019) [16] “Pressure-Induced Emission of Cesium Lead Halide Perovskite Nanocrystals”, Z. Ma, Z. Liu, S. Lu, L. Wang, X. Feng, D. Yang, K. Wang, G. Xiao*, L Zhang*, S. A. Redfern, and B. Zou*, Nat. Commun. 9, 4506 (2018) [15] “Dielectric Behavior as a Screen in Rational Searches for Electronic Materials: Metal Pnictide Sulfosalts”, X. He, D. J Singh*, P. Boon-On, M. Lee*, and L Zhang*, J. Am. Chem. Soc. 140, 18058 (2018) [14] “Experimental Identification of Critical Condition for Drastically Enhancing Thermoelectric Power Factor of Two-Dimensional Layered Materials”, J. Zeng, X. He, S. Liang*, E. Liu, Y. Sun, C. Pan, Y. Wang, T. Cao, X. Liu, C. Wang, L. Zhang, S. Yan, G. Su, Z. Wang, K. Watanabe, T. Taniguchi, D. J Singh, L Zhang*, and F. Miao*, Nano Lett. 18, 7538 (2018) [13] “Chlorine-Incorporation-Induced Formation of the Layered Phase for Antimony-Based Lead-Free Perovskite Solar Cells”, F. Jiang, D. Yang, Y. Jiang, T. Liu, X. Zhao, Y. Ming, B. Luo, F. Qin, J. Fan, H. Han, L Zhang*, and Y. Zhou*, J. Am. Chem. Soc. 140, 1019 (2018) [12] “Rational Design of Halide Double Perovskites for Optoelectronic Applications”, X Zhao, D Yang, J Ren, Y Sun, Z Xiao*, and L Zhang*, Joule 2, 1662 (2018) [11] “Materials Discovery at High Pressures”, L Zhang, Y Wang, J Lv, and Y Ma*, Nat. Rev. Mater. 2, 17005 (2017) [10] “Cu-In Halide Perovskite Solar Absorbers”, X Zhao, D Yang, Y Sun, T Li, L Zhang*, L Yu, and Alex Zunger, J. Am. Chem. Soc. 139, 6718 (2017) [9] “Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation”, X. Zhao, J. Yang, Y. Fu, D. Yang, Q. Xu, L. Yu, S. Wei*, and L Zhang*, J. Am. Chem. Soc. 139, 2630 (2017) [8] “Highly Oriented Low-Dimensional Tin Halide Perovskites with Enhanced Stability and Photovoltaic Performance”, Y. Liao, H. Liu, W. Zhou, D. Yang, Y. Shang, Z. Shi, B. Li, X. Jiang, L Zhang*, L. Quan, R. Q. Bermudez, B. R. Sutherland, Q. Mi, E. H. Sargent, and Z. Ning*, J. Am. Chem. Soc. 139, 6693 (2017) [7] “Tellurium Hydrides at High Pressures: High-Temperature Superconductors”, X. Zhong, H. Wang, J. Zhang, H. Liu, S. Zhang, H. Song, G. Yang*, L Zhang*, and Y. Ma*, Phys. Rev. Lett. 116, 057002 (2016) [6] “Evolution of Electronic Structure as a Function of Layer Thickness in Group-VIB Transition Metal Dichalcogenides: Emergence of Localization Prototypes”, L Zhang* and A. Zunger*, Nano Lett. 15, 949 (2015) [5] “Reinterpretation of the Expected Electronic Density of States of Semiconductor Nanowires”, J. Wang, J. Luo, L Zhang* and A. Zunger*, Nano Lett. 15, 88 (2015) [4] “Genetic Design of Enhanced Valley Splitting towards a Spin Qubit in Silicon”, L Zhang, J. Luo, A. Saraiva, B. Koiller, and A. Zunger, Nat. Commun. 4, 2396 (2013) [3] “Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell Nanowires”, L Zhang*, M. d’Avezac, J. Luo, and A. Zunger*, Nano Lett. 12, 984 (2012) [2] “Wide InP Nanowires with Wurtzite/Zincblende Superlattice Segments are Type-II Whereas Narrower Nanowires Become Type-I: An Atomistic Pseudopotential Calculation”, L Zhang, J. Luo, A. Zunger*, N. Akopian, V. Zwiller, and J. Harmand, Nano Lett. 10, 4055 (2010) [1] “Comment on “Spectroscopic Signatures of Novel Oxygen-Defect Complexes in Stoichiometrically Controlled CdSe””, L Zhang, J. T. Thienprasert, M. H. Du, D. J. Singh, and S. Limpijumnong, Phys. Rev. Lett. 102, 209601 (2009) |