薄涛 副研究员
日期:2022-07-11

薄涛,博士,能源材料安全技术团队,副研究员,硕士生导师。

2007年9月-2011年6月就读于郑州大学,获热能与动力工程专业学士学位。2011年9月-2017年6月就读于西安交通大学,获核科学与技术专业博士学位,其中2012年10月-2017年6月于中科院高能物理研究所核能放射化学实验室联合培养。2017年7月-2019年6月于中科院高能所东莞分部(中国散裂中子源)开展博士后研究;2019年7月-2021年11月于中科院物理所(松山湖材料实验室)开展博士后研究。在Adv. Funct. Mater.、Chem、Nano Energy、J. Power Sources、J. Phys. Chem. Lett.、Phys. Rev. Mater.、Phys. Rev. B、J. Mater. Chem. C、Phys. Chem. Chem. Phys.等国际期刊发表SCI论文50余篇,文章共被引用900余次,H因子19(Google Scholar)。2021年11月加入中科院宁波材料所能源材料安全技术团队(张蕾老师组)。

招生方向:

1. 核能乏燃料干法后处理或熔盐堆燃料等熔盐体系的第一性原理计算、机器学习势的训练和深度势能分子动力学模拟(含材料、物理、化学专业方向)
2. 核能材料的第一性原理计算和深度势能分子动力学模拟(含材料、物理、化学专业方向)
3. 新型功能材料的理论预测及第一性原理计算

使用的计算方法包含:
(1)第一性原理:VASP、QUANTUM ESPRESSO、ABACUS等
(2)量子化学:Gaussian16
(3)晶体结构预测:CALYPSO
(4)深度势能:DPGEN、DeepMD-Kit
(5)分子动力学:LAMMPS
 

代表性文章:

方向一:核能材料

(1)Tao Bo, Jianhui Lan, Yaolin Zhao*, Chaohui He, Zhifang Chai, Weiqun Shi*, First-Principles Study of Water Reacting with the (110) Surface of Uranium Mononitride, J. Nucl. Mater., 2017, 492: 244-252.

(2)Tao Bo, Jianhui Lan, Yujuan Zhang, Yaolin Zhao, Chaohui He, Zhifang Chai, Weiqun Shi*, Adsorption and Dissociation of H2O on the (001) Surface of Uranium Mononitride: Energetics and Mechanism from First-Principles Investigation, Phys. Chem. Chem. Phys., 2016, 18(19), 13255-13266.

(3)Tao Bo, Jianhui Lan, Congzhi Wang, Yaolin Zhao, Chaohui He, Yujuan Zhang, Zhifang Chai, Weiqun Shi*, First-Principles Study of Water Reaction and H2 Formation on UO2 (111) and (110) Single Crystal Surfaces, J. Phys. Chem. C, 2014, 118(38), 21935-21944.

(4)Tao Bo, Jianhui Lan, Yaolin Zhao*, Yujuan Zhang, Chaohui He, Zhifang Chai, Weiqun Shi, Surface Properties of NpO2 and Water Reacting with Stoichiometric and Reduced NpO2 (111), (110), and (100) Surfaces from Ab Initio Atomistic Thermodynamics, Surf. Sci., 2016, 644, 153-164.

(5)Tao Bo, Jianhui Lan, Yaolin Zhao*, Yujuan Zhang, Chaohui He, Zhifang Chai, Weiqun Shi*, First-Principles Study of Water Adsorption and Dissociation on the UO2 (111), (110) and (100) Surfaces, J. Nucl. Mater., 2014, 454(1-3): 446-454.

(6)Cong-Zhi Wang, Tao Bo, Jian-Hui Lan, Qun-Yan Wu, Zhi-Fang Chai, John K Gibson, Wei-Qun Shi*, Ultrastable actinide endohedral borospherenes, Chem. Commun., 2018, 54, 2248-2251. (合作研究)

方向二:量子超导材料

(1)Tao Bo, Yanan Wang, Yingzong Liang, Xinbao Liu, Jun Ren, Hongming Weng, Miao Liu*, Sheng Meng*, High-Throughput Screening of Element-Doped Carbon Nanotubes Toward an Optimal One-Dimensional Superconductor. J. Phys. Chem. Lett., 2021, 12, 6667-6675.

(2)Tao Bo, Peng-Fei Liu, Luo Yan, and Bao-Tian Wang*, Electron-phonon coupling superconductivity in two-dimensional orthorhombic MB6 (M = Mg, Ca, Ti, Y) and hexagonal MB6 (M = Mg, Ca, Sc, Ti). Phys. Rev. Mater., 2020, 4, 114802.

(3)Ze Yu†, Tao Bo†, Bo Liu, Zhendong Fu, Huan Wang, Sheng Xu, Tianlong Xia*, Shiliang Li*, Sheng Meng*, Miao Liu*. Superocnductive materials with MgB2-like structures from data-driven screening, Phys. Rev. B, 2022, 105, 214517. (共同一作)

(4)Luo Yan†, Tao Bo†, Peng-Fei Liu, Bao-Tian Wang*, and Yongguang Xiao*. Prediction of phonon-mediated superconductivity in two-dimensional Mo2B2, J. Mater. Chem. C, 2019, 7, 2589-2595.(共同一作)

(5)Xin-Hai Tu†, Tao Bo†, Peng-Fei Liu, Wen Yin, Ning Hao*, Bao-Tian Wang*, Superconductivity in Mo-P compounds under pressure and in double-Weyl semimetal Hex-MoP2, Phys. Chem. Chem. Phys., 2022, 24, 7893-7900. (共同一作)

(6)Luo Yan, Tao Bo, Peng-Fei Liu, Liujiang Zhou, Junrong Zhang, Minghua Tang, Yongguang Xiao*, and Bao-Tian Wang*, Superconductivity in predicted two dimensional XB6 (X = Ga, In), J. Mater. Chem. C, 2020, 8, 1704-1714.(合作研究)

(7)Luo Yan, Tao Bo, Bao-Tian Wang, Sergei Tretiak, and Liujiang Zhou*, Single-Layer Dititanium Oxide Ti2O MOene: Multifunctional Promises for Electride, Anode Materials, and Superconductor, J. Phys. Chem. Lett., 2021, 12, 494-500.(合作研究)

(8)Luo Yan, Tao Bo, Wenxue Zhang, Peng-Fei Liu, Yong-Guang Xiao*, Ming-Hua Tang*, and Bao-Tian Wang*. Novel structures of two-dimensional tungsten boride and their superconductivity, Phys. Chem. Chem. Phys., 2019, 21, 15327-15338. (合作研究)

方向三:锂电池电极材料

(1)Tao Bo, Peng-Fei Liu, Juping Xu, Junrong Zhang, Yuanbo Chen, Olle Eriksson, Fangwei Wang, Bao-Tian Wang*, Hexagonal Ti2B2 monolayer: A promising anode material offering high rate capability for Li-ion and Na-ion batteries, Phys. Chem. Chem. Phys., 2018, 20, 22168-22178.

(2)Tao Bo, Peng-Fei Liu, Junrong Zhang, Fangwei Wang, Bao-Tian Wang*. Tetragonal and Trigonal Mo2B2 Monolayers: Two New Low-Dimensional Materials for Li-Ion and Na-Ion Batteries, Phys. Chem. Chem. Phys., 2019, 21, 5178-5188.

(3)Guanghui Yuan†, Tao Bo†, Xiang Qi, Peng-Fei Liu, Zongyu Huang*, and Bao-Tian Wang*. Monolayer Zr2B2: a promising two-dimensional anode material for Li-ion batteries, Appl. Surf. Sci., 2019, 480, 448-453.(共同一作,指导学生)

(4)Yanhui Guo†, Tao Bo†, Yiyuan Wu, Junrong Zhang, Zhansheng Lu, Weidong Li, Xiuping Li, Ping Zhang, and Bao-Tian Wang*, YS2 monolayer as a high-efficient anode material for rechargeable Li-ion and Na-ion batteries, Solid State Ionics, 2020, 345, 115187.(共同一作,指导学生)

(5)Yi-Yuan Wu, Tao Bo, Junrong Zhang, Zhansheng Lu, Zhiguang Wang, Yuhong Li, and Baotian Wang*. Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries. Phys. Chem. Chem. Phys., 2019, 21, 19513-19520.(指导学生)

(6)Yi-Yuan Wu, Tao Bo, Xueliang Zhu, Zhiguang Wang, Junwei Wu, Yuhong Li*, and Bao-Tian Wang*, Two-dimensional tetragonal Ti2BN: a novel potential anode material for Li-ion batteries. Appl. Surf. Sci., 2020, 513, 145821.(指导学生)

(7)Shao-Fei Wang, Bao-Tian Wang, Tao Bo, Jun-Rong Zhang*, and Fang-Wei Wang*, Theoretical Investigation of Ti2B Monolayer as Powerful Anode Material for Li/Na Batteries with High Storage Capacity. Appl. Surf. Sci., 2021, 538, 148048.(指导学生)

方向四:与实验合作

(1)Chunyong He†*, Tao Bo†, Yubin Ke, Bao-Tian Wang, Juzhou Tao, and Pei Kang Shen*, Black potassium titanate nanobelts: Ultrafast and durable aqueous redox electrolyte energy storage. J. Power Sources, 2021, 483, 229140. (共同一作,电极材料)

(2)Yanchong Zhao(赵岩翀)†, Tao Bo(薄涛)†, Luojun Du(杜罗军), Jinpeng Tian(田金朋), Xiaomei Li(李晓梅), Kenji Watanabe, Takashi Taniguchi, Rong Yang(杨蓉), Dongxia Shi(时东霞)*, Sheng Meng(孟胜), Wei Yang(杨威)*, and Guangyu Zhang(张广宇)*, Thermally induced band hybridization in bilayer-bilayer MoS2/WS2 heterostructure. Chin. Phys. B, 2021, 30, 057801. (共同一作,二维量子材料)

(3)Zhiheng Huang†, Yanchong Zhao†, Tao Bo†, Yanbang Chu, Jinpeng Tian, Le Liu, Yalong Yuan, Fanfan Wu, Jiaojiao Zhao, Lede Xian, Kenji Watanabe, Takashi Taniguchi, Rong Yang, Dongxia Shi, Luojun Du*, Zhipei Sun, Sheng Meng*, Wei Yang*, Guangyu Zhang*. Spatially indirect intervalley excitons in bilayer WSe2. Phys. Rev. B, 2022, 105, L041409. (共同一作,二维量子材料)

(4)Chuangye Song†, Tao Bo†, Xin Liu, Pengjie Guo, Sheng Meng*, Kehui Wu*. Local Kondo scattering in 4d-electron RuOx nanoclusters on atomically-resolved ultrathin SrRuO3 films. Phys. Chem. Chem. Phys., 2021, 23, 22526. (共同一作)

(5)Chun-Yong He*, Tao Bo, Bao-Tian Wang, Ju-Zhou Tao*. RGO induced one-dimensional bimetallic carbide nanorods: An efficient and pH-universal hydrogen evolution reaction electrocatalyst. Nano energy, 2019, 62, 85-93.(电催化析氢)

(6)Wang Hay Kan, Biao Deng, Yahong Xu, Alpesh Khushalchand Shukla, Tao Bo, Shuo Zhang, Jin Liu, Piero Pianetta, Bao-Tian Wang, Yijin Liu, Guoying Chen, Understanding the Effect of Local Short-Range Ordering on Lithium Diffusion in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode, Chem, 2018, 4, 1-16. (锂电池电极材料)

(7)Wang Hay Kan, Chenxi Wei, Dongchang Chen, Tao Bo, Bao-Tian Wang, Yan Zhang, Yangchao Tian, Jun-Sik Lee, Yijin Liu*, Guoying Chen*. Evolution of local structural ordering and chemical distribution upon delithiation of a rock salt-structured Li1.3Ta0.3Mn0.4O2 cathode. Adv. Funct. Mater., 2019, 29, 1808294. (锂电池电极材料)

(8)Xu Zhang†, Lei Zhang†, Tao Bo, Shanen Huang, Zhiwei Huang, Weiqun Shi*. Two tetravalent uranium silicate and germanate crystals with three membered single-ring by molten salt method: K2USi3O9 and Cs2UGe3O9. Chin. Chem. Lett., 2022, 33, 3527-3530. (晶体生长)

(9)Yanze Wu, Lin Wang, Tao Bo, Zhifang Chai, John K. Gibson, Weiqun Shi*. Boosting Hydrogen Evolution in Neutral Medium by Accelerating Water Dissociation with Ru Clusters Loaded on Mo2CTx MXene. Adv. Funct. Mater., 2023, 2214375.(电催化)

主持或参与项目:

1. 国家自然科学基金联合基金重点项目,“熔盐环境对核燃料中关键金属离子的化学行为影响”,项目编号:U226720035,280万元,2023年1月-2026年12月,重要参与人(可用经费56万元)
2. 国家自然科学基金联合基金重点项目,“锕系团簇金属有机框架材料的合成及其去除放射性UO22+和TcO4-研究”,项目编号:U216720034,280万元,2022年1月-2025年12月,重要参与人(可用经费29万元)
3. 国家自然科学基金青年基金项目,“铀、钚碳化物及铀钚混合碳化物的结构、物性和中子辐照损伤的理论研究”,项目编号:12105196,30万元,2022年1月-2024年12月,项目负责人
4. 中广核横向课题,“LBE关键杂质的溶解度与热力学分析”,2022年1月-2023年12月,重要参与人
5. 广东省区域联合基金-青年基金项目,“新型硼基超导材料的高通量预测”,项目编号:2019A1515110920,10万元,2020年1月-2022年12月,项目负责人
6. 中国博士后科学基金面上项目,“碳化铀和氮化钚表面与水作用机理的第一性原理研究”,项目编号:2018M641477,5万元,2019年1月-2019年6月,项目负责人

E-mail: botao@nimte.ac.cn

 

文章发表:https://www.researchgate.net/profile/Tao-Bo-7/research