Email: huailiyuan@nimte.ac.cn
2016年博士毕业于吉林大学物理化学专业(导师:刘靖尧教授),获理学博士学位。2016年7月进入宁波材料所新能源所从事博士后研究,合作导师:黎军研究员;2018年11月留所工作,任助理研究员;2022年1月,晋升为副研究员。
一直从事纳米材料表面反应机理及动力学的理论研究,发表论文20余篇,包括以第一/通讯作者发表在《Green Chemistry》、《Energy Storage Materials》、《ACS Applied Materials & Interfaces》、《Carbon》等国际著名SCI刊物。作为负责人主持国家自然科学基金青年项目、中国博士后第60批面上项目、浙江省自然科学基金青年项目、江苏省碳基功能材料与器件重点实验室开放课题、宁波市自然科学基金项目。
研究方向
纳米催化材料的理论计算模拟,包括糠醛多相催化氧化/还原、电催化氧化/还原。
文章
- Jie Yang#, Liyuan Huai#, Jiang Gan, Hualei Hu, Shenghu Zhou*, Jian Zhang*, Self-Etherification of 5‑Hydroxymethylfurfural to 5,5′(Oxybis(methylene))bis-2-furfural over Hierarchically Micromesoporous ZSM-5: The Role of Brønsted- and Lewis-Acid Sites, Industrial & Engineering Chemistry Research, 2022, 61(1), 987-994.
- Zhengyu Li#, Liyuan Huai#, Panpan Hao*, Xi Zhao, Yongzhao Wang, Bingsen Zhang, Chunlin Chen, Jian Zhang*, Oxidation of 2,5-Bis(hydroxymethyl)furan to 2,5-Furandicarboxylic Acid Catalyzed by Carbon Nanotube-supported Pd catalysts, Chinese Juornal of Catalysis, 2022, 43(3), 793-801.
- Bin Zhu, Chunlin Chen*, Liyuan Huai, Zhenqiang Zhou, Lei Wang, Jian Zhang*, 2,5-Bis(hydroxymethyl)furan: A new alternative to HMF for simultaneously electrocatalytic production of FDCA and H2 over CoOOH/Ni electrodes, Applied Catalysis B: Environmental, 2021, 297, 120396.
- Tongtong Zhang#, Yaoping Hu#, Liyuan Huai*, Zhijin Gao, Jian Zhang*. Facile synthesis and isolation of 5-hydroxymethylfurfural from diphenyl sulfoxide. Green Chemistry. 2021, 23,3241.
- Shun Li, Zhendong Li, Liyuan Huai, Mingming Ma, Kailin Luo, Jiahe Chen, Deyu Wang, Zhe Peng∗. A strongly interactive adatom/substrate interface for dendrite-free and high-rate Li metal anodes. Journal of Energy Chemistry. 62 (2021) 179–190.
- Zhendong Li , Liyuan Huai , Shun Li , Mingming Ma , Kailin Luo , Yang Zhao , Deyu Wang ∗, Xueliang Sun ∗, Zhe Peng. ∗ Insight into bulk charge transfer of lithium metal anodes by synergism of nickel seeding and LiF-Li3N-Li2S co-doped interphase. Energy Storage Materials. 37 (2021) 491–500.
- Feihong Ren# , Zhendong Li# , Liyuan Huai# , Zhongmin Ren , Muqin Wang , Jian Liu , Huan Lin , Zhe Peng *, Deyu Wang* High-loading lateral Li deposition realized by a Scalable Fluorocarbon Bonded Laminates. Carbon .171 (2021) 894-906.
- Li-yuan Huai,# Wenqiang Du,# Zhifeng Zhang,# Xianhui Zhang,* Zhiyong Zhang, Zhenlian Chen, Jinlei Wu, Deyu Wang, and Jun Li.* The mechanism of V-modification in Li2CoSiO4 cathode material for Li-ion batteries: a combined first-principles and experimental study. Electrochimica Acta. 2020, 353, 136564.
- Yue Liu, Peiping Yu, Yu Wu, Hao Yang, Miao Xie, Liyuan Huai, William A Goddard, III,*Tao Cheng* The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium−Metal Anode Surface. The Journal of Physical Chemistry Letters. 2021, 12, 1300−1306.
- Zhongmin Ren, Cai Shen*, MengLiu, JianLiu, Shengqi Zhang, GaiYang, Liyuan Huai*, Xiaosong Liu, Deyu Wang*, Hong Li. Improving LiNi0.9Co0.08Mn0.02O2’s cyclic stability via abating mechanical damages. Energy Storage Materials. 2020, 28, 1-9.
- Zhe Peng, Junhua Song, Liyuan Huai, Haiping Jia, Biwei Xiao, Lianfeng Zou, Guomin Zhu, Abraham Martinez, Swadipta Roy, Vijayakumar Murugesan, Hongkyung Lee, Xiaodi Ren, Qiuyan Li, Bin Liu, Xiaolin Li, Deyu Wang*, Wu Xu, Ji Guang Zhang*. Enhanced Stability of Li Metal Anodes by Synergetic Control of Nucleation and the Solid Electrolyte Interphase. Advanced Energy Materials 2019, 9, 1901764.
- Yun Zhu, Fanping Meng, Nannan Sun, Liyuan Huai, Muqin Wang, Feihong Ren, Zhendong Li, Zhe Peng,* Feng Huang,* Hui Gu, Deyu Wang*, Suppressing ponge-Like Li Deposition via AlN-Modified Substrate for Stable Li Metal Anode. ACS Applied Materials & Interfaces 2019, 11, 42261-42270.
- Hong Wen, Liyuan Huai, Xin Jin, and Jing-yao Liu*. Mechanism of Nitric Oxide Reduction by Hydrogen on Ni(110) and Ir/Ni(110): First Principles and Microkinetic Modeling. Journal of Physical Chemistry C 2019, 123, 8, 4825-4836.
- Xin Jin, Liyuan Huai, Hong Wen, Wencai Yi, and Jingyao Liu*. Reduction of NO with CO on the Co3O4(110)-B and CoO(110) Surfaces: A First–Principles Study. Journal of Physical Chemistry C 2019, 123, 1770−1778.
- Muqin Wang,∥Liyuan Huai,∥Guohong Hu,∥Shanshan Yang, Feihong Ren, Shuwei Wang, Zhenggang Zhang, Zhenlian Chen, Zhe Peng,* Cai Shen,* Deyu Wang*. Effect of LiFSI Concentrations To Form Thickness- and Modulus-Controlled SEI Layers on Lithium Metal Anodes. Journal of Physical Chemistry C 2018, 122, 9825−9834.
- Feihong Ren, Ziyu Lu, Huan Zhang, Liyuan Huai, Xinchun Chen, Sudong Wu,* Zhe Peng,* Deyu Wang, and Jichun Ye. Pseudocapacitance Induced Uniform Plating/Stripping of Li Metal Anode in Vertical Graphene Nanowalls. Advanced Functional Materials. 2018, 1805638.
- Yang Jiang, Yujing Bi, Meng Liu**, Zhe Peng, Liyuan Huai, Peng Dong, Jianguo Duan, Zhenlian Chen, Xing Li***, Deyu Wang*, Yingjie Zhang. Improved stability of Ni-rich cathode by the substitutive cations with stronger bonds. Electrochimica Acta, 268, 2018, 41-48.
- Liyuan Huai, Zhenlian Chen*, Jun Li*. Degradation Mechanism of Dimethyl Carbonate (DMC) Dissociation on the LiCoO2 Cathode Surface: A First-Principles Study. ACS Applied Materials & Interfaces. 2017, 9, 36377-36384.
- Liyuan Huai, Tan Su, Hong Wen, Xin Jin, Jing-yao Liu*. NO reduction by H2 on the Rh(111) and Rh(221) surfaces: A mechanistic and kinetic study. Journal of Physical Chemistry C 2016, 120, 5410–5419.
- Liyuan Huai, Chao-zheng He, Hui Wang, Hong Wen, Wen-cai Yi, Jing-yao Liu*. NO dissociation and reduction by H2 on Pd(111): A first–principles study. Journal of Catalysis, 2015, 322, 73–83.
- Liyuan Huai, Hui Wang, Chao-zheng He, Hong Wen, Wen-cai Yi, Jing-yao Liu*. Effect of subsurface oxygen on selective catalytic reduction of NO by H2 on Pt(100): A first–principles study. Journal of Physical Chemistry C, 2015, 119, 24819−24826.
- Hui Wang, Chao-zheng He, Liyuan Huai, Jingyao Liu*. Decomposition and oxidation of methanol on Ir(111): A first–principles study. Journal of Physical Chemistry C, 2013, 117, 4574−4584.
- Chao-zheng He, Hui Wang, Liyuan Huai, Jingyao Liu*. Mechanism of ammonia decomposition and oxidation on Ir(110): A first–principles Study. Journal of Chemical Physics, 2013, 138, 144703.
- Hui Wang, Chao-zheng He, Liyuan Huai, Jingyao Liu. Formaldehyde Decomposition and Coupling on V(100): A First-Principles Study. Journal of Physical Chemistry C. 2012, 116, 10639−10648.
主要研究项目
负责主持的科研项目:
1. 国家自然科学基金青年项目(关于锂离子电池界面反应机理, 25.2万元),在研。
2. 中国博士后基金面上项目(关于锂离子电池界面反应机理, 5万元),已结题。
3. 浙江省基础公益研究计划自然科学基金青年基金项目(关于锂离子电池硅酸盐正极材料,8万元)已结题。
4. 宁波市自然科学基金(关于锂离子电池界面反应机理,3万元),已结题。
5. 江苏省碳基功能材料与器件重点实验室开放课题 (关于镍酸锂正极材料界面反应机理,6万元),在研。