Assoc. Prof. Dr. Xiaoping Yi | Best Researcher Award

University of Science and Technology Beijing | China

Dr. Xiaoping Yi is a materials scientist specializing in first-principles calculations and molecular dynamics of lithium batteries and solid electrolytes, with strong experience in both simulation and experimental design. She earned her PhD in Chemistry from the University of Science and Technology Beijing (2018–2023) and also conducted research at the University of Birmingham, UK, focusing on novel inorganic solid electrolytes, polymer electrolyte design, and silicon-based anodes. After completing her doctorate, she joined the Institute of Physics at the Chinese Academy of Sciences as a postdoctoral researcher (2023–2025), and in 2025 she became Associate Professor at the University of Science and Technology Beijing. Her research interests include nanomaterials design, solid-state lithium/sodium ion batteries, interface electrochemistry, catalytic mechanisms, synchrotron spectroscopy, electron microscopy, and computational materials science. She has published over 25 peer-reviewed SCI articles in high-impact journals (e.g. Advanced Energy Materials, Energy Storage Materials), and her work is recognized for integrating theory and experiment to address performance and safety trade-offs in all-solid-state batteries. Her representative recent work is “Achieving Balanced Performance and Safety for Manufacturing All‐Solid‐State Lithium Metal Batteries by Polymer Base Adjustment” (Adv. Energy Mater., 2025). Her current h-index is approximately 13 with ~1,164 citations (estimated) according to public metrics. She has received recognition for her contributions in battery materials and solid-state electrolytes. Looking ahead, she aims to drive breakthroughs in safe, high-energy density solid-state battery systems via multiscale modeling and experimental validation.

Profile : Orcid

Featured Publications

Yi, X., Li, H.*, Yang, Y., Xiao, K., Zhang, S., Wang, B., Wu, N., Cao, B., Zhou, K., Zhao, X., Leong, K. W., et al. (2025). Achieving balanced performance and safety for manufacturing all-solid-state lithium metal batteries by polymer base adjustment. Advanced Energy Materials, 15(3), 2404973.

Yi, X., Li, H.*, et al. (2025). Strategically tailored polyethylene separator parameters enable cost-effective, facile, and scalable development of ultra-stable liquid and all-solid-state lithium batteries. Energy Storage Materials, 77, 104191.

Chen, N., Yi, X., Liang, Y., et al. (2025). Terminal steric shielding resolves solvent co-intercalation degradation: Molecularly tailored weak-solvation electrolytes for structurally durable K-ion batteries. Chemical Engineering Journal. (Accepted).

Qi, G., Yi, X.*, et al. (2025). Electrochemical-mechanical coupled phase-field modeling for lithium dendrite growth in all-solid-state lithium metal batteries. Journal of Energy Chemistry, 110, 80–87.

Chen, N., Yi, X., Liang, Y., et al. (2024). Dual-steric hindrance modulation of interface electrochemistry for potassium-ion batteries. ACS Nano, 18(32), 32205–32214.

Mr. Asif Khan | Best Researcher Award

University of Science and Technology Bannu KPK | Pakistan

Dr. Asif Nawaz Khan is a Pakistani physicist and lecturer at the University of Science and Technology Bannu (USTB), specializing in computational materials science. He is currently pursuing a Ph.D. in Physics at USTB, after completing an M.Phil. from Gomal University and an M.Sc. from Kohat University. Since 2009, he has been actively involved in teaching, supervising BS and M.Phil students, and guiding research in computational simulations and solar cell device modeling. His research focuses on the design and analysis of lead-free perovskite materials (3D and 2D) and their structural, optical, thermoelectric, elastic, thermodynamic, and phonon properties, along with molecular dynamics studies. He employs advanced simulation tools including WIEN2k, Quantum Espresso, CASTEP, and SCAPS-1D, and applies machine learning techniques for material property prediction. Dr. Khan has co-authored multiple high-impact publications, currently holding an h-index of 3 with 38 citations, reflecting his contributions to clean energy materials and sustainable photovoltaics. His work advances the understanding and development of efficient, stable, and multifunctional energy materials. Overall, Dr. Khan is committed to advancing computational materials research and training the next generation of scientists in energy and optoelectronic applications.

Featured Publications

Khan, A., Khan, N. U., Nawaz, A., Ullah, K., & Manan, A. (2024). A DFT study to explore structural, electronic, optical and mechanical properties of lead-free Na₂MoXO₆ (X= Si, Ge, Sn) double perovskites for photovoltaic and optoelectronic applications. Computational and Theoretical Chemistry, 1240, 114834. https://doi.org/10.1016/j.comptc.2024.114834

Hosen, A., Mousa, A. A., Nemati-Kande, E., Khan, A. N., Abu-Jafar, M. S., … (2025). Systematic computational screening and design of double perovskites Q₂LiMH₆ (Q= K, Rb; M= Ga, In, Tl) for efficient hydrogen storage: A DFT and AIMD approach. Surfaces and Interfaces, 106608. https://doi.org/10.1016/j.surfin.2025.106608

Khan, A. N., Rabhi, S., Jehangir, M. A., Charif, R., Khan, N. U., Begagra, A., … (2025). Evaluating A₂SrGeI₆ (A= K and Rb) lead-free double perovskites: Structural, elastic, and optoelectronic insights for clean energy. Inorganic Chemistry Communications, 174, 113949. https://doi.org/10.1016/j.inoche.2025.113949

Khan, N. U., Ghani, U., Khan, A., Khan, A. N., Ullah, K., Ali, R., & Fadhali, M. M. (2025). Theoretical insight into stabilities and optoelectronic properties of RbZnX₃ (X=Cl, Br) halide perovskites for energy conversion applications. Optical and Quantum Electronics, 57(1), 109. https://doi.org/10.1007/s11082-025-04789-1

Rabhi, S., Khan, A. N., Chinoune, O., Charif, R., Bouri, N., Al-Qaisi, S., … (2025). Insight into NaSiCl₃: A lead-free perovskite for the next generation revealed by DFT and SCAPS-1D. Physical Chemistry Chemical Physics, 27(25), 13490–13507. https://doi.org/10.1039/D5CP02345A