Prof. Xiaobo Chen | Computational Chemistry | Best Researcher Award

Jinan University, China.

Xiaobo Chen is an Associate Professor at Jinan University, where he has been since 2014. He earned his Ph.D. in material physics and chemistry from Zhejiang University in 2011 and later worked as a postdoctoral fellow at the Ningbo Institute of Materials Technology and Engineering. Dr. Chen's research focuses on computational studies of heterogeneous catalysis mechanisms, optical and defect physics in semiconductors, and the magnetic properties of low-dimensional materials. His work contributes significantly to the understanding of catalytic systems and energy storage technologies.

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Education 🎓

Dr. Xiaobo Chen completed his Ph.D. in material physics and chemistry from Zhejiang University in 2011. This academic foundation led to his postdoctoral position at the Ningbo Institute of Materials Technology and Engineering, where he honed his expertise in material sciences. He is currently an Associate Professor at the College of Physics & Optoelectronic Engineering, Jinan University.

Experience 💼

Dr. Chen’s academic journey began after his Ph.D., as he joined Ningbo Institute of Materials Technology and Engineering as a postdoctoral fellow. He became an Associate Professor at Jinan University in 2014. Throughout his career, he has collaborated with various experimental groups and contributed to both theoretical and computational research, primarily focusing on catalytic systems and semiconductor physics. His work has led to notable advancements in computational methodologies and energy storage solutions.

Research Interests 🔬

Heterogeneous catalysis mechanisms

Optical and defect physics in semiconductors

Magnetic physics of low-dimensional materials
He has also made significant strides in computational chemistry, particularly in the development of methods for analyzing catalytic systems and semiconductor materials.

Selected Publications 📚

Electronegativity principle for hydrogen evolution activity using first-principles calculations

Y An, M Ouyang, S Kong, G Wang, X Chen

Physical Chemistry Chemical Physics, 25 (19), 13289-13296, 2023

Activating the κ-Ga2O3 surface for epitaxy growth and dopant incorporation using low chemical-hardness metal overlayers

W Feng, S Chen, Z Lin, Z Chen, G Wang, X Chen, Y Pei

Journal of Alloys and Compounds, 951, 169793, 2023

Substantial impact of surface charges on electrochemical reaction kinetics on S vacancies of MoS2 using grand-canonical iteration method

Y An, W Cao, M Ouyang, S Chen, G Wang, X Chen

The Journal of Chemical Physics, 159 (14), 2023

First-Principles Prediction of κ-Ga2O3:N Ferromagnetism

W Feng, X Chen, J Liang, G Wang, Y Pei

The Journal of Physical Chemistry C, 128 (18), 7733-7741, 2024

Effective active sites of triangular Mo-S Nano-catalysts from first-principle calculations

G Wang, X Chen

Surfaces and Interfaces, 26, 101373, 2024

Assoc. Prof. Dr. Hongxia Liu | Theoretical Chemistry | Women Researcher Award

Anshan Normal University, China

Dr. Hong-xia Liu is an Associate Professor at Anshan Normal University and a member of the Royal Society of Chemistry. With extensive expertise in theoretical and experimental chemistry, Dr. Liu’s research focuses on reaction mechanisms, green catalysis, and material design. She has published numerous papers in high-impact journals, reviewed for prestigious journals, and secured multiple competitive research grants. Her dedication to teaching and innovation makes her a respected figure in physical chemistry.

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Education 🎓

Dr. Hong-xia Liu earned her Ph.D. in Physical Chemistry from Jilin University, China (2005–2010). Under the mentorship of Prof. Jingyao Liu, her research focused on "Theoretical studies on the mechanism and kinetic properties of several important chemical reactions," emphasizing advanced computational methods and theoretical modeling to unravel intricate chemical processes. She previously obtained her B.Sc. in Chemistry from Inner Mongolia Normal University, China (2001–2005), where she built a strong foundation in the fundamental principles of chemistry.

Professional Experience 💼

Dr. Hong-xia Liu completed her Ph.D. in Physical Chemistry at Jilin University, China, from 2005 to 2010, where she conducted research under the guidance of Prof. Jingyao Liu. Her dissertation, titled "Theoretical Studies on the Mechanism and Kinetic Properties of Several Important Chemical Reactions," employed advanced computational techniques and theoretical modeling to explore the mechanisms and kinetics of complex chemical reactions. Prior to her doctoral studies, Dr. Liu earned a B.Sc. in Chemistry from Inner Mongolia Normal University, China, in 2005, establishing a strong foundational understanding of chemistry's core principles.

Research Interests 🔬

Reaction Mechanisms and Kinetics
Dr. Hong-xia Liu’s research delves into the study of chemical reaction mechanisms and kinetics, aiming to understand the underlying processes that drive chemical transformations. Her work uses advanced computational techniques to model and analyze reaction pathways, energy profiles, and rate-determining steps.

Green Catalysis and Organic Synthesis
Dr. Liu explores the use of green catalysis in organic synthesis, focusing on environmentally friendly processes that reduce waste and energy consumption. Her work aims to develop more sustainable and efficient catalytic systems for chemical reactions, promoting the use of renewable resources.

Raman Spectral Analysis for Aromaticity
Dr. Liu applies Raman spectroscopy to analyze aromaticity in molecules, using this technique to study the structural and electronic properties of aromatic compounds. This analysis provides valuable insights into the stability, reactivity, and behavior of aromatic systems in various chemical reactions.

Computational Chemistry
Dr. Liu employs computational chemistry tools such as VASP (Vienna Ab-initio Simulation Package), Gaussian, and Multiwell to conduct detailed studies of chemical systems. These tools allow for high-level quantum mechanical calculations, aiding in the investigation of molecular structures, reaction dynamics, and thermodynamic properties.

Awards and Grants 🏆

National Natural Science Foundation of China (2020–2022): Spiropyran-based membrane material for intelligent humidity control

Special Research Project of Anshan Normal University (2021–2022): Kinetics of Cl removal from tap water

Publications Top Notes 📚

Theoretical Prediction of the Reaction Mechanism Underlying the Active Phase of Bn (n = 3–5) and Cu-Doped Electron-Deficient Bn-1 Clusters: Reduction of CO2, Journal of Chemical Physics, 2024-12
Contributors: Hong-xia Liu, Ling Fu, Chao-zheng He. Link

Molecular Dynamics Simulation of Methane Dehydrogenation on Clusters of Cu4 and Cu3M (M@Fe, Co, Ni) Alloys, Reaction Kinetics, Mechanisms and Catalysis, 2024-11-27
Contributors: Hong-xia Liu, Xiaoze Sun, Ling Fu, Chao-Zheng He. Link

Research on the Application of Localized Argument-Driven Inquiry Teaching Model in a High School in Northeast China, Journal of Chemical Education, 2024-11-17
Contributors: Hong-xia Liu, Xiao-di Zeng, Rong Deng, Qiao-kun Li, Shuang Wu, Wen-dong Zhou. Link

Theoretical Study on Equilibrium, Thermodynamic, and Density Functional Models for Doped and Amination@TiO2 Removal of Cadmium (II) Ion from Wastewater, The European Physical Journal Plus, 2024-08-05
Contributors: Hong-xia Liu, Hong-bo Zhang, Ling Fu, Chao-zheng He. Link

Study on the Methane Dehydrogenation Reaction Catalyzed by Triangular Transition Metal: A Theoretical Research, Physica Scripta, 2023-10-01
Contributors: Hongxia Liu, Fu Ling, He Chaozheng. Link