| 李向阳，副研究员。研究领域为理论与计算化学，以当前信息和能源两大重要议题为导向，聚焦在磁性功能材料的理论设计、单分子量子器件模拟、能源转化催化机理的解析方面，开展了系统深入的研究，先后取得了多项重要成果，包括基于第一性原理计算设计了系列可在室温工作的二维金属有机亚铁磁半导体材料；在原子/金属界面体系中提出并利用金属酞菁分子模具的策略规律化了磁性原子的自旋量子态；证明了催化剂反应位点上价电子的重排对氢气氧化反应的重要性等，为指导和推动相关实验研究提供了理论思路和路线。近三年，已经在Nat. Commun., J. Am. Chem. Soc., Angew. Chem. Int. Ed.等权威期刊上发表论文二十余篇。 研究方向：磁性半导体功能材料的理性设计；扫描隧道显微镜(STM)的图像模拟与谱学；固体表面的结构与催化机理 联系方式： 地址：安徽省合肥市科学岛交叉科研楼北楼，邮编：230031 电话：（0551）65591150
邮箱：lixy@theory.issp.ac.cn
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代表性文章：
[1] Ya-Han Meng, Ming-Ming Wang, Jing-Wen Xu, Kui Xu, Kai Zhang, Ze-Hui Xie, Zheng-Xin Zhu, Wei-Ping Wang, Peng-Fei Gao, Xiang-Yang Li*, Wei Chen*. Balancing Interfacial Reactions through Regulating p-Band Centers by an Indium Tin Oxide Protective Layer for Stable Zn Metal Anodes. Angew. Chem. Int. Ed. 2023, doi.org/10.1002/anie.202308454.
[2] Xiang-Yang Li†, Qing-Bo Liu†, Yong-Sen Tang†, Wei Li, Ning Ding, Zhao Liu, Hua-Hua Fu, Shuai Dong, Xing-Xing Li* and Jin-Long Yang*. Quintuple function integration in two-dimensional Cr(II) five-membered heterocyclic metal organic frameworks via tuning ligand spin and lattice symmetry. J. Am. Chem. Soc. 2023, 145, 7869–7878. (Supplementary Journal Cover)
[3] Xu Zhao†, Xiang-Yang Li†, Lu-Lu An, Li-Rong Zheng*, Jin-Long Yang*, De-Li Wang*. Controlling the valence-electron arrangement of nickel active centers for efficient hydrogen oxidation electrocatalysis. Angew. Chem. Int. Ed. 2022, 61, e2022065.
[4] Xiang-Yang Li†, Hai-Feng Lv†, Xiao-Feng Liu, Tong Jin, Xiao-Jun Wu,* Xing-Xing Li* and Jin-Long Yang*. Two-dimensional bipolar magnetic semiconductors with high Curie-temperature and electrically controllable spin polarization realized in exfoliated Cr(pyrazine)2 monolayers. Sci. China Chem. 2021, 64, 2212–2217.
[5] Xiang-Yang Li†, Liang Zhu†, Bin Li, Jing-Cheng Li, Peng-Fei Gao, Long-Qing Yang, Ai-Di Zhao, Yi Luo, Jian-Guo Hou, Xiao Zheng*, Bin Wang* and Jin-Long Yang*. Molecular molds for regularizing Kondo states at atom/metal interfaces. Nat. Commun. 2020, 11, 2566.
