王怀谦
Wang HuaiQian
教授

职称：  教授 硕士生导师
主要任职：系主任
性别：男
出生日期：1981-05-18
毕业院校：Sichuan University
学历：博士研究生
学位：理学博士学位
入职时间：2011-07-21
所在单位：华侨大学
电子邮箱：hqwang@hqu.edu.cn
在职信息：在岗
其他任职：华侨大学学术委员会委员、泉州校区大学物理教学部主任、华侨大学本科教学督导组成员
职务：教授
学科：计算机技术/凝聚态物理/原子与分子物理/光学工程
邮编：362021
通讯/办公地址：福建省泉州市丰泽区城华北路269号

个人简介：
王怀谦，四川大学原子与分子物理博士，现为华侨大学教授，华侨大学学术委员会委员，华侨大学本科教学督导组成员，光学工程/电子信息硕士生导师，光电信息科学与工程系系主任，福建省高层次人才，福建省优秀硕士学位论文指导教师。已主持国家自然科学基金、福建省自然科学基金等十多项科研项目。曾作为第一完成人先后荣获福建省科学技术奖和泉州市科学技术奖。同时，还荣获了教育部宝钢教育奖等多项奖励 。并且入选了福建省新世纪优秀人才计划和高校杰出青年科研人才培育计划等人才项目。已在国际SCI杂志《J. Chem. Phys.》、《Phys. Chem. Chem. Phys.》、《J. Chem. Inf. Model.》、《J. Phys. Chem.》、《Spectrochim. Acta A》、《中国科学：物理学 力学 天文学》和《物理学报》等刊物上发表论文90余篇，其中以第一作者或通讯作者身份发表 JCR Top 期刊论文 10 余篇，JCR 2 区及以上 SCI 论文 60 余篇。其研究论文备受关注，被包括《Nature Reviews Materials》（影响因子：86.2）、《Chemical Reviews》（影响因子：72.087）在内的国际权威 SCI 期刊累计引用 800 余次（数据来源为 Web of Science）。目前，王怀谦教授担任《J. Phys. Chem. Lett.》、《Phys. Chem. Chem. Phys.》、《J. Chem. Phys.》、《J. Mater. Chem.》、《Inorg. Chem.》、《Chem. Mater》、《ACS Appl. Nano Mater.》、《Nanoscale》、《Int. J. Hydrogen Energy》、《J. Alloy. Compd.》、《Chinese J. Phys.》、《Front. Phys.》、《J. Mol. Liq.》、《JAS》(IEEE/CAA Journal of Automatica Sinica) 等 50 余家国际 SCI 期刊的评审专家，近年来累计审稿达220 余篇次。此外，王怀谦教授还兼任普通高等学校本科教育教学评估专家以及全国研究生教育评估检测专家等职务。

王怀谦教授课题组简介    

研究方向：本课题组紧密聚焦多个前沿科研领域，涵盖四个主要方向。

方向1：借助机器学习技术，对纳米团簇结构及晶体材料进行精准预测，为纳米材料及晶体材料的设计及应用打造前瞻性理论基石。

方向2：光电材料的研究与理论计算，提升光电材料性能，拓展其应用范围。

方向3：纳米团簇设计与物性调控，实现纳米材料基元性能在原子水平下的精确构筑。

方向4：固体中稀土/过渡金属电磁结构理论，为平面二维材料领域的发展构筑坚实理论根基。

团队简介：目前课题组成员20名：博士2名、在学硕士研究生10名、本科生8名。本课题组以先进的光电材料理论计算实验平台为依托，长期与中科院实验团队合作，充分利用双方的资源优势，以光电材料性能优化和应用为目标，采用机器学习技术手段探寻新型多功能光电材料基元的组成、结构及界面设计理论与方法，深入钻研材料基元的化学、物理、力学作用规律。经过持续不断的努力与创新，本课题组在光电材料以及纳米团簇等领域收获了一系列至关重要的研究成果，在国内外范围内产生了相对广泛的影响。


招生信息：

（1）信息科学与工程学院、光学工程（学术型硕士，每年2~3个）

（2）工学院、电子信息（专业型硕士，每年1~2个）

欢迎对自然科学领域（包括数学、物理、化学、材料等）以及人工智能计算机领域的研究抱有浓厚兴趣的同学加入光电材料与理论计算课题组。


课题组近三年发表论文

2025年发表论文        

40.      Zhang J.-M., Zheng H., Wang P., Wang H.-Q.*, Li H.-F., Xu H.-G.,* Zheng W.-J. Octahedral Coordinated Cluster TaN12+: Mass Spectrometry Detection, Photodissociation Observation, and Theoretical Exploration. (2026) ChemPhysChem, DOI: 10.1002/cphc.202500833

39.        Li A.-Q., Li H.-F.*, Ren J., Huang Y.-J., Li Z.-Y., Zhang J.-M., Wu W.-H., Li A.-Q., Wang H.-Q.* DFT of Homometallic TM2Bn− (TM = Ni, Cu, Zn; n = 5, 7) Clusters: Bonding, Aromaticity, and Fluxionality. (2025) Advanced Theory and Simulations, DOI: 10.1002/adts.202501586

38.        Zhang J.-M., Li H.-F., Wu W.-H., Wen Z.-X., Wang H.-Q.* Rational design of stable doped nanoclusters: structural evolution and electronic stability in scandium-doped copper anions. (2026) Materials Today Chemistry, 51, art. no. 103293. DOI: 10.1016/j.mtchem.2025.103293

37.        Wu W.-H., Li H.-F.*, Zhang J.-M., Wang H.-Q.* DFT/TD-DFT study on bonding, stability, and optical absorption of pentagonal bipyramidal REPb6− clusters (RE = Sc, Y, La–Nd). (2026) Micro and Nanostructures, 210, art. no. 208487. DOI: 10.1016/j.micrna.2025.208487

36.        Zhao, X.-Q., Li, H.-F.*, Zhang, B., Wang, H.-Q.* First-principles study of two-dimensional Th2CO2 MXene monolayer: Electronic, optical and thermodynamic properties. (2025) Physics Letters, Section A: General, Atomic and Solid State Physics, 563, art. no. 131086. DOI: 10.1016/j.physleta.2025.131086

35.        Li, Z.-Y., Ding, P.-F.*, Li, H.-F.*, Chen, K., Zhang, J.-M., Li, A.-Q., Li, A.-Q., Wu, W.-H., Wang, H.-Q.* Analysis of structure, bonding and thermal stability of group 15 doped boron clusters MBₙ− (M = As, Sb, Bi; n = 6, 8). (2025) Chemical Physics, 599, art. no. 112878. DOI: 10.1016/j.chemphys.2025.112878

34.        Wen, Z.-X., Li, H.-F., Jiang, K.-L., Wang, H.-Q.* Enhancing SchNet-Based Structure Prediction for Doped Clusters via Transfer Learning and Fine-Tuning. (2025) Journal of Physical Chemistry A, 129 (41), pp. 9616 – 9624. DOI: 10.1021/acs.jpca.5c05018

33.        Zhang, Y.-H., Wang, P., Liu, K.-W., Wang, H.-Q.*, Xu, H.-G.*, Li, H.-F., Zhang, J.-M., Zheng, H., Zheng, W.-J. Photoelectron spectroscopy and formation mechanism of Ta2N3−: Activation of N2 by Ta2N− (2025) Journal of Chemical Physics, 163 (12), art. no. 124303. DOI: 10.1063/5.0291038

32.        Zhang, B., Li, H.-F., Zhao, X.-Q., Wang, G.-Z., Wang, H.-Q.* Interfacial polarization engineering in dual-Janus MoGeSiN4/MoSTe heterostructure: Giant built-in field driven efficient photocatalytic water splitting. (2025) Surfaces and Interfaces, 73, art. no. 107596. DOI: 10.1016/j.surfin.2025.107596

31.        Zhang, J.-M., Li, H.-F., Wu, W.-H., Wang, H.-Q.* From Ih-Lu@Ge20− monomers to 2D planar assemblies: DFT-unveiled bonding evolution via 5d-4p hybridization and electron redistribution (2025) Computational Materials Science, 258, art. no. 114050. DOI: 10.1016/j.commatsci.2025.114050

30.        Jiang, K.-L., Wang, H.-Q.*, Li, H.-F., Wen, Z.-X. A scalable machine learning multi-local regression framework for potential energy surface fitting across diverse chemical landscapes (2025) Journal of Chemical Physics, 163 (2), art. no. 024106. DOI: 10.1063/5.0276306

29.        Mei, X.-J., Wang, H.-Q.*, Zhang, J.-M., Wu, W.-H., Li, H.-F., Ding, X.-L. Double Aromaticity and Inverse-Sandwich Structures in Double-Lanthanide-Doped Boron Clusters: Excitation from f-Electrons to d-Electrons (2025) Journal of Physical Chemistry A, 129 (18), pp. 4106 – 4114. DOI: 10.1021/acs.jpca.5c01459

28.        Sun, X.*, Zeng, J., Wang, X., Wang, H.-Q. Delayed fluorescence of acridine dyes induced by supramolecular assembly of terephthalic acid and melamine (2025) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 332, art. no. 125809. DOI: 10.1016/j.saa.2025.125809

27.     Wang, X., Ouyang, M., Wang, H.-Q., Sun, X.* Preparation of Multicolor Room-Temperature Phosphorescence Carbon Dots by Changing the Conjugation Degree of Precursors for Information Encryption (2025) ACS Applied Materials and Interfaces, 17 (9), pp. 14425 – 14432. DOI: 10.1021/acsami.4c22144

26.     Zhang, B., Wang, H.-Q.*, Li, H.-F., Zhao, X.-Q. Discovering XSiGeN4: 2D Janus layers with ultra-high carrier mobility and pathways to future electronics (2025) Surfaces and Interfaces, 60, art. no. 106025. DOI: 10.1016/j.surfin.2025.106025

25.     Wu, W.-H., Wang, H.-Q.*, Zhang, J.-M., Zheng, H., Zhang, Y.-H., Li, H.-F. Deep insights into rare-earth doped clusters: A comprehensive first-principles exploration (2025) Materials Today Communications, 43, art. no. 111829. DOI: 10.1016/j.mtcomm.2025.111829

24.     Jiang, K.-L., Wang, H.-Q.*, Li, H.-F., Pan, S.-W., Zheng, H., Zhang, Y.-H., Zhang, J.-M. SchNet_IIA: Potential Energy Surface Fitting by Interatomic Interactions Attention Based on Transfer Learning Analysis (2025) Journal of Chemical Information and Modeling, 65 (1), pp. 92 – 100. DOI: 10.1021/acs.jcim.4c01473

23.     Li, A.-Q., Li, H.-F.*, Li, Z.-Y., Qin, L.-X., Mei, X.-J., Zhang, J.-M., Zhang, Y.-H., Zheng, H., Jiang, K.-L., Wu, W.-H., Li, A.-Q., Wang, H.-Q.* Structural evolution and electronic properties of the La-doped germanium clusters (2025) Molecular Physics, 123 (2), art. no. e2356191. DOI: 10.1080/00268976.2024.2356191

22.     Zhang, Y.-K.*, Wang, H.-Q., Li, H.-F., Du, Y.-Z., Fu, Y.-Q., Shen, Y.-N., Lin, W.-X., Zheng, X.-B. Single-image autostereoscopic 3D display via depth-adaptive integral imaging (2025) Optics Communications, 597, art. no. 132598. DOI: 10.1016/j.optcom.2025.132598


2024年发表论文

21.     Zhang, B., Wang, H.-Q.*, Li, H.-F.*, Zheng, H., Zhang, Y.-H., Mei, X.-J., Zhang, J.-M., Jiang, K.-L., Jiang, Q.-W. The high electron mobility for spin-down channel of two-dimensional spin-polarized half-metallic ferromagnetic EuSi2N4 monolayer. (2024) Journal of Computational Chemistry, 45 (31), pp. 2678 – 2689. DOI: 10.1002/jcc.27474

20.     Mei, X.-J., Wang, H.-Q.*, Zhang, J.-M., Zhang, Y.-H., Zheng, H., Wu, W.-H., Jiang, K.-L., Zhang, B., Li, H.-F.* Decoding the structural and electronic variations in M2Bn- (M = Sc, Y, La; n = 6–9) clusters: Insights for nanomaterial design (2024) Physics Letters, Section A: General, Atomic and Solid State Physics, 526, art. no. 129979. DOI: 10.1016/j.physleta.2024.129979

19.     Zhang, Y.-H., Wang, H.-Q.*, Li, H.-F.*, Zhang, J.-M., Zheng, H., Jiang, K.-L., Zhang, B., Wu, W.-H. Discovering SnB7−: a half-sandwich structure with double aromaticity and pathways to molecular machines (2024) Physical Chemistry Chemical Physics, 26 (42), pp. 27106 – 27115. DOI: 10.1039/d4cp03590a

18.     Chen, Z.-J., Li, H.-F.*, Xie, Z.-M., Zhang, Y.-H., Zheng, H., Jiang, K.-L., Zhang, B., Zhang, J.-M., Wang, H.-Q.* Geometry and electronic structures of rare earth-doped boron-based clusters RЕBn− (RE = La, Sc; n = 6, 8)  (2024) Acta Physica Sinica, 73 (19), art. no. 193601. DOI: 10.7498/aps.73.20240962

17.     Zheng, H., Wang, H.-Q.*, Zhang, J.-M., Mei, X.-J., Zhang, Y.-H., Zeng, J.-K., Jiang, K.-L., Zhang, B., Li, H.-F.* Probing the structural and electronic properties of exohedral doped clusters M12Li− (M = Al, Ga, In) (2024) Physics Letters, Section A: General, Atomic and Solid State Physics, 520, art. no. 129736. DOI: 10.1016/j.physleta.2024.129736

16.     Wu, W.-H., Wang, H.-Q.*, Zeng, J.-K., Zhang, J.-M., Zheng, H., Zhang, Y.-H., Mei, X.-J., Jiang, K.-L., Zhang, B., Li, H.-F.* Structural properties and aromaticity of rare-earth doped tin cluster anion: MSn9− (M = Sc, Y, La) (2024) Physics Letters, Section A: General, Atomic and Solid State Physics, 517, art. no. 129671. DOI: 10.1016/j.physleta.2024.129671

15.     Zhang, J.-M., Wang, H.-Q.*, Li, H.-F.*, Mei, X.-J., Zhang, Y.-H., Zheng, H. Electronic Structure, Aromaticity, and Magnetism of Minimum-Sized Regular Dodecahedral Endohedral Metallofullerenes Encapsulating Rare Earth Atoms (2024) ACS Omega, 9 (32), pp. 35197 – 35208. DOI: 10.1021/acsomega.4c05912

14.     Zhang, Y.-H., Wang, H.-Q.*, Li, H.-F.*, Zeng, J.-K., Zheng, H., Mei, X.-J., Zhang, J.-M., Jiang, K.-L., Zhang, B., Wu, W.-H. Probing the Structural and Electronic Properties of the Anionic and Neutral Tellurium-Doped Boron Clusters TeBnq (n = 3-16, q = 0, −1) (2024) Journal of Physical Chemistry A, 128 (28), pp. 5459 – 5472. DOI: 10.1021/acs.jpca.4c00907

13.     Li, H.-F., Wang, H.-Q.*, Zhang, Y.-K. Exploring the Structural and Electronic Properties of Niobium Carbide Clusters: A Density Functional Theory Study (2024) Molecules, 29 (13), art. no. 3238. DOI: 10.3390/molecules29133238

12.     Zheng, H., Wang, H.-Q.*, Li, H.-F.*, Zhang, J.-M., Zhang, Y.-H., Qin, L.-X., Mei, X.-J., Jiang, K.-L., Zeng, J.-K., Zhang, B., Wu, W.-H. Structural evolution and electronic properties of medium-sized boron clusters doped with selenium (2024) Chemical Physics, 583, art. no. 112321. DOI: 10.1016/j.chemphys.2024.112321（被编辑选为封面论文）

11.     Zhang, J.-M., Wang, H.-Q.*, Li, H.-F.*, Mei, X.-J., Zeng, J.-K., Qin, L.-X., Zheng, H., Zhang, Y.-H., Jiang, K.-L., Zhang, B., Wu, W.-H. Aromatic and magnetic properties in a series of heavy rare earth-doped Ge6 cluster anions (2024) Journal of Computational Chemistry, 45 (14), pp. 1087 – 1097. DOI: 10.1002/jcc.27317

10.     Li, H.-F., Wang, H.-Q.*, Zhang, J.-M., Qin, L.-X., Zheng, H., Zhang, Y.-H. Investigation of Structures, Stabilities, and Electronic and Magnetic Properties of Niobium Carbon Clusters Nb7Cn (n = 1–7) (2024) Molecules, 29 (8), art. no. 1692. DOI: 10.3390/molecules29081692

9.     Xie, B., Wang, H.-Q.*, Li, H.-F., Zhang, J.-M., Zeng, J.-K., Qin, L.-X., Mei, X.-J. Structural and Electronic Properties of Bimetallic Eu2 Doped Silicon-Based Clusters (2024) Journal of Cluster Science, 35 (1), pp. 115 – 127. DOI: 10.1007/s10876-023-02466-z


2023年发表论文

8.     Zeng, J.-K., Wang, H.-Q.*, Li, H.-F., Zheng, H., Zhang, J.-M., Mei, X.-J., Zhang, Y.-H., Ding, X.-L. Exploring the stability and aromaticity of rare earth doped tin cluster MSn16− (M = Sc, Y, La) (2023) Physical Chemistry Chemical Physics, 26 (4), pp. 2986 – 2994. DOI: 10.1039/d3cp04803a

7.     Jiang, K., Pan, S.*, Yang, L., Yu, J., Lin, Y., Wang, H.-Q. Surgical Instrument Recognition Based on Improved YOLOv5 (2023) Applied Sciences (Switzerland), 13 (21), art. no. 11709. DOI: 10.3390/app132111709

6.     Qin, L.-X., Li, H.-F.*, Xiao, B.-W., Zhang, J.-M., Zeng, J.-K., Mei, X.-J., Zhang, Y.-H., Zheng, H., Wang, H.-Q.* Pentagonal bipyramid-shaped REGe6− (RE = Sc, Y, La, Ce, Pr, Nd, Pm, Sm, and Eu) clusters with adjustable magnetic moments (2023) Chemical Physics, 575, art. no. 112064. DOI: 10.1016/j.chemphys.2023.112064（被编辑选为封面论文）

5.     Xie, B., Wang, H.-Q.*, Li, H.-F., Zhang, J.-M., Zeng, J.-K., Mei, X.-J., Zhang, Y.-H., Zheng, H., Qin, L.-X. Making Sense of the Growth Behavior of Ultra-High Magnetic Gd2-Doped Silicon Clusters (2023) Molecules, 28 (13), art. no. 5071. DOI: 10.3390/molecules28135071

4.     Zhan, Q., Li, H.-F.*, Xie, B., Fan, Y.-W., Wang, H.-Q.* Probing the Structural, Electronic and Adsorptive Properties of VnO− (n = 10–15) Clusters (2023) Journal of Cluster Science, 34 (3), pp. 1651 – 1658. DOI: 10.1007/s10876-022-02267-w

3.     Jiang, L.-Y., Wang, H.-Q.*, Li, H.-F., Xie, B., Zhang, J.-M., Ji, J.-Y. The influence of double lanthanide metal atoms on the stability of germanium-based clusters (2023) Chemical Physics, 567, art. no. 111819. DOI: 10.1016/j.chemphys.2023.111819

2.     Xie, B., Wang, H.-Q.*, Li, H.-F., Zeng, J.-K. Structural and electronic properties of Ln2Si6q: (Sm, Eu, Yb; q = 0, −1) clusters (2023) Chemical Physics, 566, art. no. 111782. DOI: 10.1016/j.chemphys.2022.111782

1.     Zeng, J.-K., Wang, H.-Q.*, Li, H.-F., Xie, B., Jiang, L.-Y., Zhang, J.-M., Qin, L.-X. A DFT study on structural evolution, electronic property and spectral analysis of yttrium-doped germanium clusters (2023) Molecular Physics, 121 (5), art. no. e2189492. DOI: 10.1080/00268976.2023.2189492


课题组其他论文详见链接：ORCID: 0000-0003-0388-510X

                                                Web of Science Researcher ID: A-2222-2012