许桂贵，协和学院教授/硕士生导师。曾入选“福建省高校杰出青年科研人才计划”，主要从事储能材料（固态电池）表界面的第一性原理研究。先后主持完成国家自然科学基金青年项目1项、福建省自然科学基金面上项目2项，参与国家自然科学基金项目多项。近年来以第一/通讯作者在Physical Review B、Physical Review Materials、Journal of Applied Physics、Journal of Power Sources、Physical chemistry chemical physics等国际知名期刊发表SCI论文20多篇,作为主要完成人的科研成果获得福建省自然科学奖二等奖1项、三等奖1项。

一、研究领域

1.计算凝聚态物理

2.储能材料（固态电池）表界面的第一性原理研究

二、代表论文

(1) Hongbin Lin, Guiying Zhao, Xiumei Kang, Weijian Zhang, Yue Chen, Guigui Xu*, Kehua Zhong, Jian-Min Zhang, Zhigao Huang*, Upcycling strategy of spent LiCoO2: Toward enhanced high-voltage stability based on Al doping, Journal of Power Sources, 642, 236950 (2025).

(2) Xiumei Kang, Hongbin Lin, Guigui Xu*, Jianming Tao, Yue Chen, Kehua Zhong, Jian-Min Zhang, Zhigao Huang*, Space charge layers and interface potentials in Li/γ-Li3PO4/LixCoO2 solid-state batteries: Insights from a first-principles-informed thermodynamic study, Physical Review Materials, 8, 105402 (2024).

(3) Hongbin Lin, Xiumei Kang, Guigui Xu*, Yue Chen, Kehua Zhong, Jian-Min Zhang, Zhigao Huang*, A synergetic promotion of surface stability for high-voltage LiCoO2 by multi-element surface doping: a first-principles study, Physical Chemistry Chemical Physics, 26, 4174 (2024).

(4) Guigui Xu*, Hongbin Lin, Kehua Zhong, Jian-Min Zhang, Zhigao Huang*, Li-ion transport at the LiFePO4/γ-Li3PO4 interface and its enhancement through surface nitrogen doping, Journal of Applied Physics, 133, 145001 (2023).

(5) Guigui Xu*, Kehua Zhong, Yanmin Yang, Jian-Min Zhang, Zhigao Huang*, Insight into delithiation process on the LiFePO4 (010) surface from a novel viewpoint of the work function, Solid State Ionics 338, 25 (2019).

(6) Guigui Xu*, Kehua Zhong, Jian-Min Zhang and Zhigao Huang*, First-principles study of structural, electronic and Li-ion diffusion properties of N-doped LiFePO4 (010) surface, Solid State Ionics 281, 1 (2015).

(7) Guigui Xu*, Kehua Zhong, Jian-Min Zhang, Zhigao Huang*, First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO4 by sulfur surface modification, Journal of Applied Physics, 116, 63703 (2014).

(8) Xu Gui-Gui, Wu Jing, Chen Zhi-Gao, Lin Ying-Bin and Huang Zhi-Gao*, Effect of C doping on the structural and electronic properties of LiFePO4: A first-principles investigation, Chinese Physics B, 21 (9), 097401 (2012).

(9) Guigui Xu, Qingyun Wu, Zhigao Chen, Zhigao Huang*, and Yuan Ping Feng*, Effects of surface alloying and orientation on work function of MoTa metal gate，Journal of Applied Physics, 106, 043708 (2009).

(10) Guigui Xu, Qingyun Wu, Zhigao Chen, Zhigao Huang*, Rongqin Wu, Yuan Ping Feng*, Disorder and surface effects on work function of Ni-Pt metal gates, Physical Review B, 78, 115420 (2008).

三、科研项目

（1）国家自然科学基金青年项目，11204038，表面修饰的LiFePO4复合材料中热力学和动力学问题的第一性原理研究，2013/01-2015/12，25万元，已结题，主持。

（2）福建省高校杰出青年科研人才培育计划，2015-07至2019-07，6万元，已结题，主持。

（3）福建省自然科学基金面上项目，2016J01011，锂电池LiFePO4正极材料脱锂、嵌锂行为对表面势的影响：第一性原理与实验对比研究，2016/04-2019/04, 4万元，已结题，主持。

（4）福建省自然科学基金面上项目，2021J01188，固态锂电池正极/电解质界面空间电荷层对锂离子输运影响的第一性原理研究，2021-11至2024-11，7万元，已结题，主持。

（5）国家自然科学基金面上项目, 62174032, 磷烯纳米电子器件中异质界面优化与电输运调控机制的研究, 2022.01至2025.12, 57万元,在研，排名第二。

四、获奖情况

(1) 许桂贵(5/5); 电极材料中表界面的电子与离子输运动力学及储锂机制, 福建省自然科学奖二等奖, 2022 (李加新; 林应斌; 官轮辉; 黄志高; 许桂贵) 

(2) 许桂贵(4/5); 功能磁性材料的设计、性能及其调制研究, 福建省自然科学奖三等奖, 2016 (陈水源; 黄志高; 林应斌; 许桂贵; 蒋丽钦) 

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