基本信息

姓名：顾晓

性别：男

职称：教授

电子邮箱：guxiao@nbu.edu.cn

研究方向：凝聚态

个人简介

教育背景：2002.9-2007.7, 复旦大学物理学系，博士
1998.9-2002.7, 复旦大学物理学系，学士

工作经历：2018.12-至今， 宁波大学物理与科技学院，教授
2014.12-2018.8, 重庆大学应用物理系, “百人计划”研究员、博士生导师
2010.1-2014.12， 复旦大学计算物质科学实验室、环境系， 副研究员
2007.10-2009.10, 加拿大英属哥伦比亚大学先进材料与过程工程实验室，博士后

目前从事的主要研究工作：本人研究方向为凝聚态物理，主要从事材料微观结构及其性质现象的理论研究和模拟，研究方向是计算物理，能源材料（锂电池、超级电容器、催化剂等材料）与纳米体系的物理化学性质等。分析纳米尺度体系的结构和物性，研究其不同于大尺度体系的特殊结构和性质，包括几何结构，电子结构等等。研究结构成分缺陷，以及复杂界面的构成，稳定性和电子组态，并运用分子动力学模拟其转变，扩散等过程等微观机理。


发表SCI论文55篇（一区文章29篇），总引超过1000次（三篇单引超过100次）。
（*为本人第一/通讯作者,29篇）

[1].Porous Fe2O3 nanospheres anchored on activated carbon cloth for high-performance symmetric supercapacitors，
Jien Li, Yanwei Wang, Weina Xu, Yu Wang, Bin Zhang, Shuang Luo, Xiaoyuan Zhou, Cuilin Zhang, Xiao Gu*, Chenguo Hu, Nano Energy 57, (2019), 379-387

[2].Elucidating Li-ion adsorption and diffusion behavior on the surface of Cu0.7Co2.3O4 and improvement of performance as flexible full solid-state supercapacitor
Qipeng Liu, Jing Wan, Yanrong Li, Huaiyu Ye, Xiangyu Han, Meihui Lai, Xiaoyu He, Xiao Gu*, Chenguo Hu, Electrochimica Acta, 293, (2019), 380-389

[3].Exploring Li-ion hopping behavior in zinc ferrite and promoting performance for flexible solid-state supercapacitor,
Muhammad Sufyan Javed, Zhiqiang Jiang , Qi Yang , Xue Wang , Xiangyu Han, Cuiling Zhang , Xiao Gu*, Chenguo Hu, Electrochimica Acta 295 (2019) 558-568

[4].Thickness-tunable core–shell Co@Pt nanoparticles encapsulated in sandwich-like carbon sheets as an enhanced electrocatalyst for the oxygen reduction Reaction
Tao Xiang, Ling Fang, Jing Wan, Li Liu, Jiao Jiao Gao, Hai Tao Xu,
Hui Juan Zhang, Xiao Gu and Yu Wang, Journal of Materials Chemistry A (2018), 6, 21396

[5].A New Platinum‐Like Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH: Single‐Crystal Metallic Interweaved V8C7 Networks
Haitao Xu, Jing Wan, Huijuan Zhang, Ling Fang, Li Liu, Zhengyong Huang, Jian Li, Xiao Gu*, Yu Wang, Adv. Energy Mater. (2018), 8, 1800575

[6].Sodium ions pre-intercalation stabilized tunnel structure of Na2Mn8O16 nanorods for supercapacitors with long cycle life
Weina Xu, Jing Wan, Wangchen Huo, Qi Yang, Yanrong Li, Cuiling Zhang, Xiao Gu*, Chenguo Hu, Chemical Engineering Journal, (2018), 354, 1050-1057.

[7].Giant magnetic anisotropy of a two-dimensional metal–dicyanoanthracene framework
Yun Zhang, Zhao Wei, Meiguang Zhang, Xiao Gu* and Li Huang, Nanoscale, (2018),10, 17335-17340 

[8].Hierarchical urchin-like peapoded core-shell-structured NiCo2@Ni1/3Co2/3S2@C catalyst with synergistically high-efficiency electrocatalytic properties toward hydrogen evolution reaction
Can Yin, Ju Deng, Ling Fang, Yanwei Wang, Xiaohui Yang, Xiao Gu, Yu Wang, Journal of Catalysis. 365 (2018) 351–358

[9].Theoretical investigation of platinum-like catalysts of molybdenum carbides for hydrogen evolution reaction
Jing W, Qipeng Liu, Tongtong Wang, HaomuYuan, Pan Zhang, Xiao Gu*, Solid State Communications, 2018, 284–286, 25-30.

[10].Direct growth of CuCo2S4 nanosheets on carbon fiber textile with enhanced electrochemical pseudocapacitive properties and electrocatalytic properties towards glucose oxidation，
Weina Xu, Junlin Lu, Wangchen Huo, Jien Li, Xue Wang, Cuiling Zhang, Xiao Gu* and Chenguo Hu, Nanoscale, 2018,10, 14304-14313

[11].Selectively anchoring Pt single atoms at hetero-interfaces of γ-Al2O3/NiS to promote the hydrogen evolution reaction
Yangyang Feng, Yongxin Guan, Huijuan Zhang, Zhengyong Huang, Jian Li, Zhiqiang Jiang, Xiao Gu* and Yu Wang，J. Mater. Chem. A, 2018, 6, 11783-11789

[12].Approaching the lithium-manganese oxides’ energy storage limit with Li2MnO3 nanorods for high-performance supercapacitor,
Weina Xu, Zhiqiang Jiang, Qi Yang, Wangchen Huo, Muhammad Sufyan Javed, Yanrong Li, Li Huang, Xiao Gu* and Chenguo Hu, Nano Energy, 2018, 43: 168~176

[13].Activating Inert Alkali-Metal Ions by Electron Transfer from Manganese Oxide for Formaldehyde AbatemenGao, Jiayi； Huang, Zhiwei； Chen, Yaxin； Wan, Jing； Gu, Xiao； Ma, Zhen； Chen, Jianmin； Tang, Xingfu, Chemistry, 2018.1.12, 24(3): 681~689

[14].Crystal-plane engineering of NiCo2O4 electrocatalysts towards efficient overall water splitting,
Ling Fang； Zhiqiang Jiang； Haitao Xu； Li Liu； Yongxin guan； Xiao Gu*； Yu Wang, Journal of Catalysis, 2018.1, 357: 238~246

[15].Chip-Scale Mass Manufacturable High-Q Silicon Microdisks
Yujie Wang； Nan Zhang； Zhiqiang Jiang； Li Wang； Yunfeng Xiao； Wenzhao Sun； Ningbo Yi； Shuai Liu； Xiao Gu*； Shumin Xiao； Qinghai Song
Advanced Materials Technologies, 2017.4.18, 2: 1600299

[16].Two-Dimensional Co2S2 monolayer with robust ferromagnetism,
Yun Zhang, Meiguang Zhang, Xiao Gu*, Juexian Cao, Li Huang, Scientific Reports 2017, 7, 15993.

[17].Strengthened Synergistic Effect of Metallic MxPy(M = Co, Ni, and Cu) and Carbon Layer via Peapod-Like Architecture for Both Hydrogen and Oxygen Evolution Reactions
Yuanjuan Bai, Ling Fang, Haitao Xu, Xiao Gu, Huijuan Zhang, and Yu Wang, Small 2017, 13, 1603718

[18].Top‐down synthesis strategies: Maximum noble‐metal atom efficiency in catalytic materials，
Yaxin Chen, Zhiwei Huang, Xiao Gu, Zhen Ma, Jianmin Chen, Xingfu Tang, Chinese Journal of Catalysis 38 (2017) 1588–1596

[19].Rational design of photoelectron-trapped/accumulated site and transportation path for superior photocatalyst
Jianlin Liu, Cuiling Zhang, Biao Ma, Tiao Yang, Xiao Gu, Xue Wang, Junsheng Zhang, Chenguo Hu，Nano Energy 38 (2017) 271–280

[20].Probing the Crystal Plane Effect of Co3O4 for Enhanced Electrocatalytic Performance toward Efficient Overall Water Splitting，
Li Liu, Zhiqiang Jiang,Ling Fang, Haitao Xu, Huijuan Zhang, Xiao Gu*, and Yu Wang，ACS Appl. Mater. Interfaces 2017, 9, 27736−27744

[21].Hybrid phosphorene/graphene nanocomposite as an anode material for Na-ion batteries: a first-principles study,
Linxia Wang, Zhiqiang Jiang, Wei Li, Xiao Gu and Li Huang, J. Phys. D: Appl. Phys. 50 (2017) 165501

[22].New Efficient Electrocatalyst for the Hydrogen Evolution Reaction: Erecting a V2Se9@Poly(3,4-ethylenedioxythiophene) Nanosheet Array with a Specific Active Facet Exposed
Haitao Xu, Zhiqiang Jiang, Huijuan Zhang, Li Liu, Ling Fang, Xiao Gu*,and Yu Wang, ACS Energy Lett. 2017, 2, 1099−1104

[23].Charge storagein KCu7S4 as redoxactive material fora flexible all-solid-state supercapacitor
Shuge Dai, Weina Xu,Yi Xi, Mingjun Wang, Xiao Gu*, Donglin Guo, Chenguo Hu, Nano Energy (2016) 19, 363–372

[24].Geometric, stability, and electronic properties of gold-doped Pd clusters (PdnAu, n = 3~20)
Hao Huan, Yan Chen, Tao Wang, Xiang Ye, Xiao Gu*, J Nanopart Res (2016) 18:349

[25].A high-performance flexible solid-state supercapacitor based on Li-ion intercalation into tunnel-structure iron sulfide，
Muhammad Sufyan Javed, Zhiqiang Jiang, Cuiling Zhang, Lin Chen, Chenguo Hu, Xiao Gu*, Electrochimica Acta (2016) 219，742-750

[26].Tracking pseudocapacitive contribution to superior energy storage of MnS nanoparticles grown on carbon textile,
Muhammad Sufyan Javed, Xiangyu Han, Chenguo Hu, Meijuan Zhou, Zhiwei Huang, Xingfu Tang, and Xiao Gu*, ACS Appl. Mater. Inter., 8 (2016), pp. 24621-24628 被引9次

[27].First-principles study of intercalation of alkali ions in FeSe for solid-state Batteries, Zhiqiang Jiang, Xiao Gu*, Linxia Wang, Li Huang, Chemical Physics Letters 659 (2016) 230–233

[28].Alkali-Resistant Mechanism of a Hollandite DeNOx Catalyst,
Pingping Hu, Zhiwei Huang, Xiao Gu, Fei Xu, Jiayi Gao, Yue Wang, Yaxin Chen, and Xingfu Tang, Environ. Sci. Technol., 2015, 49 (11), 7042–7047 被引4次

[29].Alkali- and Sulfur-Resistant Tungsten-Based Catalysts for NOx Emissions Control, Zhiwei Huang, Hao Li, Jiayi Gao, Xiao Gu, Li Zheng, Pingping Hu, Ying Xin, Junxiao Chen, Yaxin Chen, Zhaoliang Zhang, Jianmin Chen, and Xingfu Tang, Environ Sci Technol. 2015 49(24):14460 被引10次

[30].Electronic Metal–Support Interactions in Single-Atom Catalysts,
Hu, P； Huang, Z； Amghouz, Z； Makkee, M； Xu, F； Kapteijn, F； Dikhtiarenko, A； Chen, Y； Gu, X； Tang, XF, Angewandte Chemie-International Edition, (2014) 53(13) 3418–3421. 被引53次

[31].Theoretical studies of the lithium atom on the silicon carbide nanotubes
Yu, GL ； Chen, N ； Wang, FF ； Xie, YQ ； Ye, X ； Gu, X, JOURNAL OF NANOPARTICLE RESEARCH 2014, 16, 2749

[32].On the graphene incorporated LiMn2O4 nanostructures: possibilities for tuning the preferred orientations and high rate capabilities
Ragavendran, K ； Hui, X ； Gu, X ； Sherwood, D ； Emmanuel, B ； Arof, AK, RSC ADVANCES 2014, 4, 60106-60111. 被引5次

[33].Band structure engineering of CdSe nanosheet by strain: A first-principles study,
Chen, N； Yua, G； Gu, X； Chen, L； Xie, Y； Li, F； Wang, F； Ye, X； Shi, W, Chemical Physics Letters 595-596, 91–96 (2014)

[34].Size and temperature dependence of the tensile mechanical properties of zinc blende CdSe nanowires,
Fu, B ； Chen, N ； Xie, YQ ； Ye, X ； Gu, X*, PHYSICS LETTERS A, 377, 2681-2686(2013) 被引8次

[35].Catalytic role of pre-adsorbed CO in platinum-based catalysts: the reduction of SO2 by CO on Pt/Aum(Co)n.
Gao, G. P.； Wei, S.H.； Gu, X； Duan, X.M., Physical Chemistry Chemical Physics, 15, 12846-12851 (2013). 被引9次

[36].A "Smart" Hollandite DeNOx Catalyst: Self-Protection against Alkali Poisoning. 
Huang, Z. W.； Gu, X.； Wen, W.； Hu, P. P.； Makkee, M.； Lin, H.； Kapteijn, F.； Tang, X. F., Angewandte Chemie-International Edition, 52 (2), 660-664 (2013). 被引22次

[37].Proton-Induced Dysfunction Mechanism of Cathodes in an Aqueous Lithium Ion Battery.
Shu, Q.； Chen, L.； Xia, Y. Y.； Gong, X. G.； Gu, X*., Journal of Physical Chemistry C, 117 (14), 6929-6932.(2013) 被引8次

[38].Self-stopping effects of lithium penetration into silicon nanowires,
Lang, L ； Dong, CD ； Chen, GH ； Yang, JH ； Gu, X ； Xiang, HJ ；Wu, RQ ； Gong, XG, Nanoscale, 5 (24), 12394-12398 (2013)

[39].Superatomic orbitals in sixteen-coordinate M@Li-16 bonded by metallic bonds. 
Gu, X*； Chen, G.-H.； Ji, M.； Yao, Y.-X.； Gong, X.-G., Nanoscale , 4 (8) 2567, (2012).

[40].Catalytically Active Single-Atom Sites Fabricated from Silver Particles.
Huang, Z.； Gu, X.； Cao, Q.； Hu, P.； Hao, J.； Li, J.； Tang, X., Angewandte Chemie-International Edition, 51 (17), 4198 (2012). 被引82次

[41].A study of the size-dependent elastic properties of silicon carbide nanotubes: First-principles calculations. 
Zhang, A.； Gu, X.； Liu, F.； Xie, Y.； Ye, X.； Shi, W., Physics Letters A, 376 (19) 1631-1635 (2012). 被引6次

[42].Effect of H2O on catalytic performance of manganese oxides in NO reduction by NH3.
Hu, P.； Huang, Z.； Hua, W.； Gu, X.*； Tang, X., Applied Catalysis a-General 437, 139 (2012). 被引29次

[43].First-Principles Study of H(+) Intercalation in Layer-Structured LiCoO(2). 
Gu, X.； Liu, J. L.； Yang, J. H.； Xiang, H. J.； Gong, X. G.； Xia, Y. Y., Journal of Physical Chemistry C,  115 (25), 12672-12676 (2011). 被引22次

[44].The role of the band gaps in the reconstruction of polar surfaces and interfaces
X. Gu, I.S. Elfimov, G.A. Sawatzky, arXiv.org, 0911.4145, (2009)

[45].Diffusion of Vinyl Bromide through the Crystals of p-Bu-t-calix[4]arene.
Gu, X.； Zhang, L.； Gong, X. A.； Lau, W. M.； Liu, Z. F. Journal of Physical Chemistry B, 112 (47), 14851-14856.(2008) 被引10次

[46].Relativistic effects and the unique low-symmetry structures of gold nanoclusters.
Huang, W.； Ji, M.； Dong, C. D.； Gu, X.； Wang, L. M.； Gong, X. G.； Wang, L. S., Acs Nano, 2 (5), 897-904.(2008) 被引88次

[47].Magic number 32 and 90 of metal clusters: A shell jellium model study.
Yin, W. J.； Gu, X.； Gong, X. G. Solid State Communications, 147 (7-8), 323-326.(2008) 被引7次

[48].Au-34(-): A fluxional core-shell cluster.
Gu, X.； Bulusu, S.； Li, X.； Zeng, X. C.； Li, J.； Gong, X. G.； Wang, L. S. Journal of Physical Chemistry C, 111 (23), 8228-8232.(2007) 被引83次

[49].Structural transitions of non-helical Au nanotubes induced by axial compression.
Gu, X.； Gong, X. G., Journal of Physics-Condensed Matter, 19 (24), 7.(2007)

[50].Structures and magnetic moments of Ni-n (n=10 similar to 60) clusters.
Yao, Y. H.； Gu, X.； Ji, M.； Gong, X. G.； Wang, D. S., Physics Letters A, 360 (4-5), 629-631.(2007)

[51].A nanocontainer for the storage of hydrogen.
Ye, X.； Gu, X.； Gong, X. G.； Shing, T. K. M.； Liu, Z. F., Carbon, 45 (2), 315-320.(2007)
被引27次

[52].PRES 54-Probing the size-dependent properties of small Au clusters and CO chemisorbed Au clusters using photoelectron spectroscopy.
Li, X.； Li, J.； Bulusu, S.； Ji, M.； Gu, X.； Zhai, H.-J.； Kiran, B.； Dai, B.； Zeng, X. C.； Gong, X.； Wang, L.-S. Abstracts of Papers of the American Chemical Society, 232.(2006)

[53].First-principles study of metal atoms adsorbed on SiO2 surface.
Yao, H. Y.； Gu, X.； Ji, M.； Zhang, D. E.； Gong, X. G. Acta Physica Sinica, 55 (11), 6042-6046.(2006) 被引9次

[54].Experimental and theoretical investigation of the electronic and geometrical structures of the Au-32 cluster.
Ji, M.； Gu, X.； Li, X.； Gong, X. G.； Li, J.； Wang, L. S. Angewandte Chemie-International Edition, 44 (43), 7119-7123.(2005) 被引101次

[55].Au-N clusters (N=32,33,34,35): Cagelike structures of pure metal atoms.
Gu, X.； Ji, M.； Wei, S. H.； Gong, X. G. Physical Review B, 70 (20), 5.(2004) 被引151次

[56].Structures and properties of Ni nanowires.
Zhang, H. Y.； Gu, X.； Zhang, X. H.； Ye, X.； Gong, X. G. Physics Letters A, 331 (5), 332-336.(2004). 被引33次

代表性学术论文

题目：Low Li ion diffusion barrier on low-crystalline FeOOH nanosheets and high performance of energy storage

发表刊物名称：NANO RESEARCH

发表时间：2023-10

题目：Hydrolysis mechanism of Li-argyrodite Li6PS5Cl in air

发表刊物名称：RARE METALS

发表时间：2023-10

题目：Quantitative Analysis of Cation Selectivity of the Electrodes in Multi-ion Electrolytes Based on 2H-Phase MoS2

发表刊物名称：JOURNAL OF PHYSICAL CHEMISTRY C

发表时间：2023-10

承担与完成的主要科研项目

项目名称：基于吉布斯自由能研究离子在电极电解液界面处的迁移 问题

项目来源：国家自然科学基金/面上项目

项目起止时间：2023-01 至 2026-12

科研获奖情况

成果名称：金笼子与外场下纳米结构转变的研究

奖励名称：国家自然科学奖

奖励级别：国家级

获批年度：2012

获奖等级：二等奖

本人排名：第四名

成果名称：金笼子结构与纳米体系结构转变的理论研究

奖励名称：上海市科学技术奖

奖励级别：部省级

获批年度：2009

获奖等级：一等奖

本人排名：第三名

授权发明专利