个人简介
董慧龙，工学博士，教授。2011年本科毕业于苏州大学，获工学学士学位；2011年考取苏州大学功能纳米与软物质研究院硕博连读研究生， 2016年6月获苏州大学工学博士学位；2016年7月-2018年9月在苏州大学开展博士后研究，其间于2017年5月至2018年7月在美国加州大学河滨分校进行访问学者研究。2018年10月加入常熟理工学院。
研究方向为材料模拟与计算及计算化学，研究领域包括新能源材料的结构及性能预测，纳米材料在新能源催化、储能，气体传感和分离净化等方面的理论模拟研究，有机小分子和功能聚合物单体的电子结构计算等。目前已在Adv. Mater., ACS Nano, Adv. Funct. Mater., J. Mater. Chem. A, J. Phys. Chem. Lett., Macromolecules, J. Power Sources, Carbon等多个材料/化学领域国际顶尖学术刊物上发表学术论文140余篇，其中以第一作者/通讯作者身份发表论文逾90篇。
课程教学
半导体固体物理，功能材料模拟与设计
研究方向
1. 材料模拟与计算
2. 计算化学
主持项目
1. 中国博士后科学基金第61批面上资助
2. 国家自然科学基金青年科学基金项目
3. 常熟理工学院国家自然科学优秀青年基金培育项目
4. 2021年度苏州市科协青年科技人才托举工程项目
5. 南开大学先进能源材料化学教育部重点实验室开放基金
6. 科技部智能纳米环保新材料及检测技术国际联合研究中心开放研究课题
7. 鸿之微科技（上海）股份有限公司开放课题项目
参加的学术会议
1. 董慧龙 等，中国化学会第28届学术年会，四川省成都市，有机钴配合物键反应路径的DFT计算与优化设计（口头报告），2012年04月13日－16日。
2. 董慧龙 等，中国化学会第29届学术年会，北京市，金属单原子在纳米石墨烯上的吸附及其潜在应用（口头报告），2014年8月4日-7日。
3. 董慧龙 等，第七届国际分子模拟与信息技术应用学术会议，江苏省苏州市，Si/SiO2核壳量子点结构与性质的密度泛函紧束缚方法计算（口头报告），2014年10月26日-28日。
4. 董慧龙. 江苏省物理学会2019年第三届春季学术会议，江苏省扬州市，二维过渡金属碳化物MC6（M=Ti, Hf）结构与物理化学性质的理论计算研究（口头报告），2019年5月10日-12日。
5. 董慧龙等. 第二届国际电化学能源系统会议，浙江省绍兴市，Theoretical investigations on two-dimensional carbon-based materials as cathode catalysts in lithium oxygen batteries（口头报告），2021 年5 月14-17 日。
6. 董慧龙. 第八届全国储能工程大会，重庆市，Computational investigations on two-dimensional metal-embedded poly-phthalocyanine for energy-related electro-chemical catalysis（邀请报告）， 2023 年4 月14 日-16 日。
7. 董慧龙. 第十四届计算纳米科学与新能源材料国际研讨会，陕西省西安市，Computational screenings on two-dimensional metal-embedded poly-phthalocyanine for energy-related electro-catalysis（邀请报告）， 2023年7月13 - 17日。
8. 董慧龙. 中国化学会 2024 电催化与电合成国际研讨会，天津市，Superior electro-catalytic activity of the negatively charged boron atom in BC3/TM/graphene sandwich heterostructures， 2024年3月29-31日。
代表性论文
纯理论研究成果：
1. Xie, J.; Wang, J.; Shu, Y.; Yang, J.*; Li, Y.*; Dong, H.*, Superior electro-catalytic performance achieved by the negatively charged boron atom on BC3/TM/graphene sandwich heterostructures. J. Mater. Sci. Technol. 2025, 207, 255-265.
2. Xie, J.; Yan, L.; Wang, J.; Wang, G.; Sun, Z.; Zhou, L.*; Yang, J.*; Dong, H.*, Two-dimensional V2O3 MOene as promising hydrogen evolution reaction electro-catalyst revealed by first-principles calculations. Int. J. Hydrogen Energy 2024, 58, 1587-1595.
3. Ning, C.*; Tong, X.; Meng, Z.; Lu, R.; Dong, H.*, Confinement effect induced efficient electro-catalytic reduction of dinitrogen in transition metal atom endohedral ultra-thin C4N3 nanotubes. Appl. Surf. Sci. 2023, 637, 157888.
4. Zhang, J.; Yan, L.; Xue, K.; Wu, J.; Ku, R.; Ding, Y. M.*; Dong, H.*; Zhou, L.*, Understanding Trends in Electrochemical Methanol Oxidation Reaction Activity on a Single Transition-Metal Atom Embedded in N-Coordinated Graphene Catalysts. J. Phys. Chem. Lett. 2023, 14, 3384-3390.
5. Yang, Y.; Wang, J.; Lin, H.; Dong, H.*; Li, Y.*, On-purpose design of dual active sites in single V atom anchored C2N nanosheets for propane dehydrogenation catalysis. Inorg. Chem. Front. 2022, 9, 5517.
6. Zheng, F.; Xiao, X.; Xie, J.; Zhou, L.*; Li, Y.*; Dong, H.*, Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides. 2D Mater. 2022, 9, 022001.
7. Dong, H.*; Ning, C.; Yang, G.; Ji, H.; Li, Y.*, Single-side functionalized graphene as promising cathode catalysts in nonaqueous lithium–oxygen batteries. Nanoscale 2021, 13, 12727-12737.
8. Yu, X.; Xie, J.; Liu, Q.; Dong, H.*; Li, Y.*, The origin of enhanced photocatalytic activity in g-C3N4/TiO2 heterostructure revealed by DFT calculations. J. Colloid Interf. Sci. 2021, 593, 133-141.
9. Zhou, L. †*; Dong, H. †*; Tretiak, S.* Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective. Nanoscale 2020, 12, 4269-4282. (Invited Review)
10. Ning, C.; Zhang, Y.; Wang, J.; Gao, H.; Xiao, C.*; Meng, Z.*; Dong, H.*, Theoretically designed two-dimensional γ-C4O as an effective gas separation membrane for hydrogen purification. Phys. Chem. Chem. Phys. 2020, 22, 19492-19501. (Back cover)
11. Dong, H.; Ji, Y.; Ding, L.; Li, Y.* Strategies for computational design and discovery of two-dimensional transition-metal-free materials for electro-catalysis applications. Phys. Chem. Chem. Phys. 2019, 21, 25535-25547. (Invited Perspective)
12. Dong, H.*; Liu, C.; Li, Y.*; Jiang, D.-e.* Computational screening of M/Cu core/shell nanoparticles and their applications for the electro-chemical reduction of CO2 and CO. Nanoscale 2019, 11, 11351-11359.
13. Zheng, F.; Dong, H.*; Ji, Y.; Li, Y.* Computational study on catalytic performance of BC3 and NC3 nanosheets as cathode electrocatalysts for nonaqueous Li–O2 batteries. J. Power Sources 2019, 436, 226845.
14. Liu, C.; Dong, H.*; Ji, Y.; Rujisamphan, N.; Li, Y.* High-performance hydrogen evolution reaction catalysis achieved by small core-shell copper nanoparticles. J. Colloid Interf. Sci. 2019, 551, 130-137. (Front cover)
15. Dong, H.*; Li, Y.*; Jiang, D.-e*. First-Principles Insight into Electrocatalytic Reduction of CO2 to CH4 on a Copper Nanoparticle. J. Phys. Chem. C 2018, 122, 11392-11398.
16. Dong, H.*; Ji, Y.; Hou, T.; Li, Y.* Two-dimensional siligraphenes as cathode catalysts for nonaqueous lithium-oxygen batteries. Carbon 2018, 126, 580-587.
17. Dong, H.*; Wang, L.; Zhou, L.; Hou, T.; Li, Y.* Theoretical Investigations on Novel SiC5 Siligraphene as Gas Sensor for Air Pollutants. Carbon 2017, 113, 114-121.
18. Dong, H.; Zhou, L.; Frauenheim, T.; Hou, T.; Lee, S.-T.; Li, Y. SiC7 Siligraphene: Novel Donor Material with Extraordinary Sunlight Absorption. Nanoscale 2016, 8, 6994-6999. (Highlighted by "Chemistry World")
19. Dong, H.; Lin, B.; Gilmore, K.; Hou, T.; Lee, S.-T.; Li, Y. Theoretical investigations on SiC2 siligraphene as promising metal-free catalyst for oxygen reduction reaction. J. Power Sources 2015, 299, 371-379.
20. Dang, X. †; Dong, H. †; Wang, L.; Zhao, Y.; Guo, Z.; Hou, T.; Li, Y.; Lee, S.-T. Semiconducting Graphene on Silicon from First-Principle Calculations. ACS Nano 2015, 9, 8562-8568. (Contributed equally)
实验/理论合作成果：
1. Zhao, Y.-N.; Sun, N.; Xu, S.; Min, S.; Dong, H.*; Li, J.; Liu, C.*; Chen, Z.*, An interface engineering strategy of MoS2/perovskite oxide as a bifunctional catalyst to boost overall water splitting. J. Mater. Chem. A 2024, 12 (15), 8757-8768.
2. Liu, Q.; Cheng, X.-F.; Huo, J.-Y.; Liu, X.-F.; Dong, H.*; Zeng, H.; Xu, Q.-F.*; Lu, J.-M.*, Manipulating the interactions between N-intermediates and one-dimensional conjugated coordination polymers to boost electroreduction of nitrate to ammonia. Chin. J. Catal. 2024, 62, 231-242.
3. Jing, X.; Dong, J.; Mao, Y.; Zhou, L.; Ding, J.*; Dong, H.*; Zhang, L.; Zhang, Y.; Zhang, W.*, Synergistic Effect Enables the Dual-Metal Doped Cobalt Telluride Particles as Potential Electrocatalysts for Oxygen Evolution in Alkaline Electrolyte. Inorg. Chem. 2024, 63 (28), 12764-12773.
4. Wei, H.; Lv, C.; Xu, K.; Shu, Y.; Fu, H.; Li, F.-L.*; Dong, H.*; Yang, J.*, Constructing fast ion/electron migration multichannels and aliovalent doping co-regulated MoSe2 for high energy density Na+ storage. Electrochim. Acta 2024, 480, 143944.
5. Sun, L.†; Dong, H.†; Xu, J.*; Liu, X.; Tang, H.*, Unravelling the Synergy between Phase Engineering and Interface Regulation in TiO2/1T-Rich MoSe2 Heterostructures for Efficient Photocatalytic Hydrogen Evolution. ACS Sustainable Chem. Eng. 2023, 11, 8009-8019. (Contributed equally)
6. Hu, C. †; Dong, H. †; Li, Y.; Sinha, S.; Wang, C.; Xu, W.; Song, L.; Suenaga, K.; Geng, H.*; Wang, J.; Huang, Q.*; Tan, Y.; Huang, X.*, Self‐Reconstruction of Single‐Atom‐Thick A Layers in Nanolaminated MAX Phases for Enhanced Oxygen Evolution. Adv. Funct. Mater. 2023, 33, 2211530. (Contributed equally)
7. Han, Y.; Shen, J.; Zhao, Q.; Zhou, M.; Zhu, D.; Hande, C.; Zhou, F.*; Dong, H.*; Zhang, Q.*, A Conjugated Polymer Bearing Perylenediimide (PDI) and Ferrocene (Fc) Exhibiting Stable Data-Storage Performance. Adv. Funct. Mater. 2023, 33, 2308106.
8. Zhang, Z.; Sun, Q.; Ji, R.; Chen, D.; Li, N.; Li, H.; Xu, Q.*; Dong, H.*; Lu, J.*, Boosted photogenerated charge carrier separation by synergy of oxygen and phosphorus co-doping of graphitic carbon nitride for efficient 2-chlorophenol photocatalytic degradation. Chem. Eng. J. 2023, 471, 144388.
9. Wang, Q.; Liu, Y.*; Wang, C.; Xu, X.; Zhao, W.*; Li, Y.; Dong, H.*, Vat Orange 7 as an organic electrode with ultrafast hydronium-ion storage and super-long life for rechargeable aqueous zinc batteries. Chem. Eng. J. 2023, 451, 138776.
10. Liang, F. †; Dong, H. †; Dai, J.; He, H.; Zhang, W.*; Chen, S.; Lv, D.*; Liu, H.; Kim, I. S.; Lai, Y.; Tang, Y.; Ge, M.*, Fast Energy Storage of SnS2 Anode Nanoconfined in Hollow Porous Carbon Nanofibers for Lithium-Ion Batteries. Adv. Sci. 2023, 2306711. (Contributed equally)
11. Zhang, L. †; Dong, H. †; Lv, C.; Sun, C.; Wei, H.; Miao, X.; Yang, J.*; Cao, L.*; Geng, H.*, Electronic structure manipulation of MoSe2 nanosheets with fast reaction kinetics toward long-life sodium-ion half/full batteries. Inorg. Chem. Front. 2023, 10, 2607-2617. (Contributed equally)
12. Shen, J.; Xue, F.; Wang, G.; Li, Y.*; Dong, H.*; Zhang, Q.*, Effective Transport Tunnels Achieved by 1,2,4,5-Tetrazine-Induced Intermolecular C-H...N Interaction and Anion Radicals for Stable ReRAM Performance. ACS Appl. Mater. Interfaces 2022, 14, 8218-8225.
13. Chen, D.; Miao, X.*; Liu, J.; Geng, J.; Zhang, L.; Dai, Z.; Dong, H.*; Yang, J.*; Geng, H.*, Microspherical copper tetrathiovanadate with stable binding site as ultra-rate and extended longevity anode for sodium-ion half/full batteries. Chem. Eng. J. 2022, 446, 136772.
14. Yang, M. †; Jiao, L. †; Dong, H. †; Zhou, L.*; Teng, C.; Yan, D.; Ye, T.-N.; Chen, X.; Liu, Y.*; Jiang, H.-L.*, Conversion of bimetallic MOF to Ru-doped Cu electrocatalysts for efficient hydrogen evolution in alkaline media. Sci. Bull. 2021, 66, 257-264.
15. Mu, S.; Li, L.; Zhao, R.; Lu, H.; Dong, H.*; Cui, C.*, Molecular-Scale Insights into Electrochemical Reduction of CO2 on Hydrophobically Modified Cu Surfaces. ACS Appl. Mater. Interfaces 2021, 13, 47619-47628.
16. Liu, C.; Sun, L.; Luo, L.; Wang, W.; Dong, H.*; Chen, Z.*, Integration of Ni Doping and a Mo2C/MoC Heterojunction for Hydrogen Evolution in Acidic and Alkaline Conditions. ACS Appl. Mater. Interfaces 2021, 13, 22646-22654.
17. Zhang, L.; Gao, X.*; Zhu, Y.; Liu, A.; Dong, H.*; Wu, D.; Han, Z.; Wang, W.; Fang, Y.; Zhang, J.; Kou, Z.; Qian, B.*; Wang, T. T.*, Electrocatalytically inactive copper improves the water adsorption/dissociation on Ni3S2 for accelerated alkaline and neutral hydrogen evolution. Nanoscale 2021, 13, 2456-2464.
18. Geng, J.; Zhang, S.; Ang, E. H.; Guo, J.; Jin, Z.; Li, X.; Cheng, Y.*; Dong, H.*; Geng, H.*, Modulating the kinetics of CoSe2 yolk–shell spheres via nitrogen doping with high pseudocapacitance toward ultra-high-rate capability and high-energy density sodium-ion half/full batteries. Mater. Chem. Front. 2021, 5, 6873-6882.
19. Cao, C. †; Dong, H. †; Liang, F.; Zhang, Y.; Zhang, W.; Wang, H.; Shao, H.; Liu, H.; Dong, K.; Tang, Y.*; Lai, Y.*; Ge, M.*, Interfacial reinforcement structure design towards ultrastable lithium storage in MoS2-based composited electrode. Chem. Eng. J. 2021, 416, 129094. (Contributed equally)
20. Shang, J. †; Dong, H. †; Geng, H.*; Cao, B.; Liu, H.; Liu, Q.*; Cao, X.; Zheng, J.; Gu, H.*, Electronic modulation of nickel selenide by copper doping and in situ carbon coating towards high-rate and high-energy density lithium ion half/full batteries. Nanoscale 2020, 12, 23645-23652. (Contributed equally)
联系方式
邮箱：huilong_dong@126.com
手机：13913561031
Researcher ID: A-2228-2012
ORCID: 0000-0002-4436-6392
