Zhang Lei
Associate Professor
低维功能纳米材料如铁性、多铁性材料，光伏、光催化材料，在传感器、驱动器、信息存储、能源转化等领域有着非常广阔的应用前景，是目前国际上最重要的研究领域之一。其核心问题在于如何理解和控制低维功能纳米材料的结构、物性以及阐明结构-物性之间的关联，为发展功能导向的新材料提供有价值的参考。 本人长期利用第一原理计算、高通量计算、分子动力学模拟、蒙特卡洛模拟等计算手段，开展新型低维材料的预测、设计、界面特性以及物性调控等方面的系统性研究工作。面向铁性、多铁... More+
Paper Publications
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[1] Muhammad Bilal Ahmed Siddique. Nonlinear optical switching in lithiated cyclo[6]carbon: external-electric-field controlled dominance and spectral characteristics. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 344, 2026.
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[2] Muhammad Bilal Ahmed Siddique. Transition metal-centered boron clusters on graphene: Promising multifunctional catalysts for overall water splitting and oxygen reduction reaction. Applied Surface Science, 710, 2025.
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[3] 刘佳. On the structural evolution, magnetic modulation, and spectroscopic characteristics of cobalt phosphide clusters: a DFT investigation. new journal of chemistry, 49, 9421-9431, 2025.
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[4] 王婷婷. Single-atom Pd Directly Anchored on Biphenylene: A Promising Bifunctional Electrocatalyst for Overall Water Splitting. Physical chemistry chemical physics, 27, 291, 2024.
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[5] 刘立烨. Beyond Shell-Filling: Strong Enhancement of Electron Affinity of Metal Clusters through a Noninvasive Oriented External Electric Field. Journal of Physical Chemistry Letters, 15, 7028, 2024.
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[6] 曹鹏飞. Amalgamation-based AuHgPt nanochains as electrocatalysts for the hydrogen evolution reaction. Journal of Materials Chemistry A, 12, 33908-33916, 2024.