Publications by authors named "Kejiang Li"

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Influence of Hydrogen-Based Direct Reduction Shaft Furnace Interior Structure on Shaft Furnace Performance.
Qingbin Xue, Haotian Liao, Jianliang Zhang, Kejiang Li

Materials (Basel)· October 2025

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Mechanistic insights into the evolution of microscopic molecular structures of bituminous coal and lignite during carbonization: a ReaxFF molecular dynamics study.
Kejiang Li, Xiangyu He, Jianliang Zhang, Chunhe Jiang, Shan Ren

J Mol Model· August 2025

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ReaxFF-nn: a reactive machine-learning potential in GULP/LAMMPS and its applications in the thermal conductivity calculations of carbon nanostructures.
Zhong-Hao Ye, Jia-Hua Liu, Chuan-Guo Chai, Yu-Shi Wen, Shou-Xin Cui, Ke-Jiang Li

Phys Chem Chem Phys· May 2025

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Microstructure evolution and properties of liquid Fe-P with different phosphorus content: molecular dynamic investigation.
Chunhe Jiang, Bo Liu, Wang Liang, Jianliang Zhang, Kejiang Li

J Mol Model· April 2025

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Interactions of graphene with oxidants in a mixed atmosphere: synergistic effects of O/HO and O/CO on gasification reactivity and kinetics.
Zeng Liang, Rita Khanna, Kejiang Li, Yunfei Ma, Yuri Konyukhov, Jianliang Zhang

Phys Chem Chem Phys· May 2024

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Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods.
Chunhe Jiang, Kejiang Li, Zhisheng Bi, Shufang Ma, Jianliang Zhang, Bo Liu, Jiaqi Li

Nanomaterials (Basel)· March 2024

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The evolution of atomistic structure and mechanical property of coke in the gasification process with CO and HO at different temperatures: A ReaxFF molecular dynamics study.
Zixin Xiong, Kejiang Li, Yushan Bu, Zeng Liang, Hang Zhang, Haotian Liao, Jianliang Zhang

J Mol Model· November 2023

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Effect of Different sp Bond Contents on the Reactivity and Mechanical Properties of Coke Carbon: A ReaxFF Molecular Dynamics Study.
Zixin Xiong, Kejiang Li, Yushan Bu, Zeng Liang, Hang Zhang, Haotian Liao, Jianliang Zhang

ACS Omega· October 2023

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The Adsorption Behaviors of CO and H to FeO onto CaO Surfaces: A Density Functional Theory Study.
Ziming Wang, Yaqiang Li, Yaping Dou, Kejiang Li, Wanhai Yu

Molecules· August 2023

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The Adsorption Mechanism of Hydrogen on FeO Crystal Surfaces: A Density Functional Theory Study.
Shujie Zhang, Kejiang Li, Yan Ma, Yushan Bu, Zeng Liang, Jianliang Zhang

Nanomaterials (Basel)· July 2023

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Reducing Iron Oxide with Ammonia: A Sustainable Path to Green Steel.
Yan Ma, Jae Wung Bae, Se-Ho Kim, Matic Jovičević-Klug, Kejiang Li

Adv Sci (Weinh)· June 2023

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The Dynamic Nature of Graphene Active Sites in the HO Gasification process: A ReaxFF and DFT Study.
Zeng Liang, Kejiang Li, Feng Guo, Hang Zhang, Yushan Bu, Jianliang Zhang

J Mol Model· March 2023

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A reactive molecular dynamics study of thermal pyrolysis behavior and mechanisms of lignin during the hydrothermal process: The function of the water molecules.
Chunhe Jiang, Wang Liang, Kejiang Li, Mansoor Barati, Alberto Conejo, Zeng Liang, Jianliang Zhang

Bioresour Technol· January 2023

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Ab Initio Investigation of the Adsorption of CO Molecules on Defect Sites of Graphene Surfaces: Role of Local Vacancy Structures.
Cui Wang, Ziming Wang, Shujie Zhang, Jianliang Zhang, Kejiang Li

Materials (Basel)· January 2023

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Density Functional Studies on the Atomistic Structure and Properties of Iron Oxides: A Parametric Study.
Shujie Zhang, Kejiang Li, Yan Ma, Feng Guo, Chunhe Jiang, Zeng Liang, Jianliang Zhang

Materials (Basel)· November 2022

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New Insights into the Traditional Charge Compensation Theory: Amphoteric Behavior of TiO under the Guidance of Supply-Demand Relationship.
Zhisheng Bi, Kejiang Li, Chunhe Jiang, Jianliang Zhang, Shufang Ma

ACS Omega· June 2022

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A density functional theory study on the adsorption reaction mechanism of double CO on the surface of graphene defects.
Shujie Zhang, Zeng Liang, Kejiang Li, Jianliang Zhang, Shan Ren

J Mol Model· April 2022

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[Effects of saline-water furrow irrigation on the stability of soil water-stable aggregates in cotton field].
Yan-Peng Bi, Chun-Lian Zheng, Hong-Kai Dang, Cai-Yun Cao, Ke-Jiang Li

Ying Yong Sheng Tai Xue Bao· April 2022

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[Effects of brackish water irrigation on grain quality characteristics and yield of winter wheat].
Yu-Zhao Ma, Hong-Kai Dang, Ke-Jiang Li, Chun-Lian Zheng, Cai-Yun Cao, Quan-Qi Li

Ying Yong Sheng Tai Xue Bao· April 2022

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Preparation and antibacterial properties of an AgBr@SiO/GelMA composite hydrogel.
Bo Li, Hong Li, Haocheng Yang, Yue Shu, Kejiang Li, Xiaoling Liao

Biomed Mater· January 2022

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Adsorption and reaction mechanisms of single and double HO molecules on graphene surfaces with defects: a density functional theory study.
Zeng Liang, Kejiang Li, Ziming Wang, Yushan Bu, Jianliang Zhang

Phys Chem Chem Phys· September 2021

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Cell-laden interpenetrating network hydrogels formed from methacrylated gelatin and silk fibroin via a combination of sonication and photocrosslinking approaches.
Wenqian Xiao, Jiale Li, Xiaohang Qu, Linling Wang, Yunfei Tan, Kejiang Li, Hang Li, Bo Li, Xiaoling Liao

Mater Sci Eng C Mater Biol Appl· June 2019

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ReaxFF Molecular Dynamics Simulation for the Graphitization of Amorphous Carbon: A Parametric Study.
Kejiang Li, Hang Zhang, Guangyue Li, Jianliang Zhang, Mohammed Bouhadja, Zhengjian Liu

J Chem Theory Comput· May 2018

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Is insulin-like growth factor binding protein 2 associated with metastasis in lung cancer?
Qinghua Hu, Lingjin Huang, Xuyuan Kuang, Heng Zhang, Guoqiang Ling, Xuliang Chen, Kejiang Li

Clin Exp Metastasis· June 2014

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