Henan University | China
Professor Chengyan Liu is a distinguished scholar in Condensed Matter Physics and Computational Physics, currently serving as a Full Research Professor at the Institute of Future Technologies, Henan University. He is a Doctoral Supervisor and a recognized Yellow River Scholar. With academic roots from Fudan University and an international postdoctoral stint at UC Irvine, Prof. Liu has become a leading authority on defect physics, semiconductor interfaces, and photoelectronic materials. His prolific output includes over 20 high-impact publications, multiple national research grants, and a reputation for pushing the boundaries of theoretical materials science.
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🎓 Early Academic Pursuits
Prof. Liu’s academic journey began with a B.Sc. in Physics from Zhengzhou University in 2011, followed by an M.Sc. in Theoretical Physics at the same institution in 2014. He then pursued a Ph.D. at Fudan University, completing it in 2017 under a rigorous theoretical physics program. During this formative period, he laid a solid foundation in quantum theory, computational modeling, and condensed matter systems, which would become central to his future research. His early interest in semiconductor materials and grain boundary phenomena steered him toward the path of advanced computational materials physics.
🏛️ Professional EndeavorsÂ
After earning his Ph.D., Prof. Liu expanded his expertise as a postdoctoral researcher at the University of California, Irvine, where he worked in the Department of Astrophysics. He returned to China to join Henan University, rapidly progressing from Lecturer (2020) to Distinguished Professor, and most recently, a Fast-Tracked Full Professor (2024) under Henan’s elite talent program. At Henan, he spearheads critical research in the Quantum Materials and Quantum Energy Lab, leads provincial and national-level projects, and serves as a doctoral mentor. His role bridges academic leadership, institutional innovation, and scientific advancement.
🔬 Contributions and Research Focus
Prof. Liu specializes in theoretical studies of defect physics, excited-state dynamics, and optoelectronic behavior in multicomponent semiconductors. His pioneering work on Cuâ‚‚ZnSn(SSe)â‚„ solar cells, defect passivation, and p-type transparent conductors has led to material innovations critical for next-generation solar energy devices. He is known for integrating first-principles calculations, nonadiabatic molecular dynamics, and interface engineering to resolve longstanding efficiency bottlenecks in photovoltaics. His research also touches on phonon imaging, bandgap tuning, and nanostructure thermodynamics, cementing his role as a cross-disciplinary leader in materials computation and energy physics.
🌏 Impact and Influence
Prof. Liu’s research has significantly impacted the fields of photovoltaics, defect engineering, and quantum materials. His work in kesterite solar cells has advanced understanding of Voc-deficits and interface stability, directly influencing experimental design across China and abroad. He has published in Nature, Advanced Energy Materials, and npj Computational Materials, garnering citations and collaborations globally. As a corresponding or first author on most of his publications, he shapes scholarly discourse and sets research directions. His mentorship and visibility in national projects further amplify his influence on China’s renewable energy research landscape.
đź“š Academic Citations
Prof. Liu has authored or co-authored over 20 peer-reviewed publications in journals with impact factors exceeding 50 (Nature, AFM, Nano Letters, etc.). His works are widely cited in the fields of materials chemistry, physics, and energy science. His contributions to defect theory, interface passivation, and electronic structure analysis are frequently referenced by experimentalists and theorists alike. Notably, his 2021 Nature paper on single-defect phonons and his 2017 work in Advanced Energy Materials are seminal in their respective domains. His consistent authorship and citation metrics mark him as a globally recognized scholar in computational materials science.
🧠Research Skills
Prof. Liu possesses deep expertise in first-principles modeling, density functional theory (DFT), nonadiabatic dynamics, and defect analysis. His ability to combine quantum simulations with applied material design allows him to bridge theory and experiment. He has demonstrated prowess in bandgap engineering, passivation chemistry, and interface defect control. His skillset includes advanced tools like VASP, Quantum ESPRESSO, and phonon analysis frameworks. He leads multi-disciplinary teams, mentors graduate researchers, and designs custom simulation frameworks to address complex materials problems placing him at the frontier of computational materials innovation.
🎓 Teaching Experience
Since 2020, Prof. Liu has taught Advanced Quantum Mechanics for graduate students, delivering 54 hours annually. He is renowned for blending rigorous theoretical depth with computational applications, making abstract quantum concepts tangible. His textbook contribution, Study Guide to Griffiths’ Quantum Mechanics, demonstrates his pedagogical commitment and ability to clarify complex physics. Students under his mentorship have contributed to publications, signaling his effectiveness in academic training and talent development. Prof. Liu emphasizes problem-solving, analytical thinking, and research integration, providing a strong foundation for emerging physicists and materials scientists under his guidance.
🏆 Awards and Honors
Prof. Liu was awarded the prestigious Yellow River Scholar title a top provincial honor recognizing distinguished academic performance. His selection as a Fast-Tracked Full Professor under Henan’s High-Level and Urgently Needed Talent Program attests to his scientific merit and leadership potential. He has received multiple NSFC research grants and is the recipient of the Henan Excellent Young Scientists Fund. His inclusion on the Board of the Henan Physical Society further highlights his stature in the academic community. These honors reflect not only his past accomplishments but also his promise for future breakthroughs.
🚀 Legacy and Future Contributions
Prof. Liu is poised to leave a lasting legacy in quantum materials research and solar energy innovation. His pioneering work on transparent conductors, defect-tolerant semiconductors, and carrier lifetime enhancement will continue to shape the next wave of clean energy technology. As a mentor, author, and national project leader, he is building a robust academic ecosystem in Henan Province and beyond. Looking ahead, he aims to expand international collaborations, transition more research toward real-world applications, and foster interdisciplinary integration. His legacy will likely include both scientific excellence and the nurturing of future scientific leaders.
Publications Top Notes
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Title: Defect inducing large spin orbital coupling enhances magnetic recovery dynamics in CrI3 monolayer
Authors: Yu Zhou, Ke Zhao, Zhenfa Zheng, Huiwen Xiang, Jin Zhao,* Chengyan Liu,*
Journal: npj Computational Materials
Year: 2025
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Title: Interfacial passivation of kesterite solar cells for enhanced carrier lifetime: Ab initio nonadiabatic molecular dynamics study
Authors: Huiwen Xiang, Zhenfa Zheng, Ke Zhao, Chengyan Liu,* Jin Zhao,*
Journal: Advanced Functional Materials
Year: 2024
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Title: Synergistic densification in hybrid organic-inorganic MXenes for optimized photothermal conversion
Authors: Tong Xu, Shujuan Tan,* Shaoxiong Li, Tianyu Chen, Yue Wu, Yilin Hao, Chengyan Liu,* Guangbin Ji,*
Journal: Advanced Functional Materials
Year: 2024
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Title: Defect-complex engineering to improve the optoelectronic properties of CuInS2 by phosphorus incorporation
Authors: Huiwen Xiang, Jinping Zhang, Feifei Ren, Rui Zhu, Yu Jia, Chengyan Liu,*
Journal: Physical Review Applied
Year: 2023
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Title: Analytical energy formalism and kinetic effects of grain boundaries: A case study of graphene
Authors: Chengyan Liu, Zhiming Li, Xingao Gong,*
Journal: Applied Physics Letters
Year: 2024