I am currently advancing my academic journey as a Master’s degree student at the School of Energy and Power Engineering, Huazhong University of Science and Technology, as part of their Interdisciplinary Graduate Program. My research, under the dedicated supervision of Prof. Guang Feng, is an extension of my academic pursuits. Prior to this, I was privileged to earn my Bachelor of Engineering degree from Nanjing Normal University, China, in 2022, under the nurturing guidance of Prof. Jing Qi.

My research delves into the intricacies of atomic-level interfaces and transport phenomena within the solid-liquid interface electric double layers (EDLs), with a particular focus on its dynamic processes of formation and relaxation, as well as the entropy of interfacial formation. I explore the underlying microscopic mechanisms of the entropy of interfacial formation, while devising regulatory strategies from a molecular and atomic standpoint. Additionally, I maintain a keen interest in harnessing the power of emerging machine learning potentials to investigate electrochemical reactions at EDLs.

If you’re interested in collaborating or just want to have a chat, please feel free to email me at tannxi99@gmail.com! I am always open to discussions and eager to learn from others. ^_^!

News

1. [Jul/2023] We created the website.
2. [Jul/2023] We posted a blog about NEP machine learning potential training in room temperature water.
3. [Sep/2023] We posted a blog about NEP machine learning potential training for NiHAB metal-organic framework.
4. [Sep/2023] We published a review paper entitled Molecular dynamics simulations of electrochemical interfaces in Journal of Chemical Physics.
5. [Mar/2024] We published a review paper entitled Decoding electrochemical processes of lithium-ion batteries by classical molecular dynamics simulations in Advanced Energy Materials.
6. [Mar/2024] We published a research paper entitled Constant charge method or constant potential method: Which is better for molecular modeling of electrical double layers? in Journal of Energy Chemistry.
7. [Apr/2024] We published a review paper entitled Progress on understanding heat generation of electrical double layers in Current Opinion in Electrochemistry.
8. [Jun/2024] We published a research paper entitled Unlocking dynamic solvation chemistry and hydrogen evolution mechanism in aqueous zinc batteries in Journal of the American Chemical Society.
9. [Jun/2024] We developed a LAMMPS interface to integrate MLPs with other force fields, such as Lennard-Jones and Tersoff potentials, enhancing simulation speed and accuracy. The open-source code can be found here.
10. [Oct/2024] We published a research paper entitled Unveil the role of structural vacancy in Mn-based Prussian blue analogues for energy storage application in Energy & Environmental Science.

More News

Selected Publications

1. Xi Tan, Ming Chen, Jinkai Zhang, Shiqi Li, Huajie Zhang, Long Yang, Tian Sun, Xin Qian*, Guang Feng*. Decoding electrochemical processes of lithium-ion batteries by classical molecular dynamics simulations, Advanced Energy Materials, 2024, 14, 2400564. Linkage

2. Liang Zeng, Xi Tan, Xiangyu Ji, Shiqi Li, Jinkai Zhang, Jiaxing Peng, Sheng Bi, Guang Feng*. Constant charge method or constant potential method: Which is better for molecular modeling of electrical double layers? Journal of Energy Chemistry, 2024, 94, 54. Linkage

3. Liang Zeng, Xi Tan, Nan Huang, Guang Feng*. Progress on understanding heat generation of electrical double layers, Current Opinion in Electrochemistry, 2024, 46, 101503. Linkage

Awards

1. 2024 First-Class Scholarship of Huazhong University of Science and Technology (Top 10%)

2. 2023 Second-Class Scholarship of Huazhong University of Science and Technology (Top 15%)

3. 2022 First-Class Scholarship of Huazhong University of Science and Technology (Top 10%)

4. 2020 National College Students’ Entrepreneurship Plan Competition (1st Place in Nanjing Normal University)

“吹灭读书声，一身都是月。”

“书声半窗月，花影一帘风。”