百晓学者学者目录

乔智威

博士生导师、教授、硕士生导师，广州大学

精选作品

期刊论文

2026

基于MOFid赋能下的AI大数据挖掘高性能化学战剂吸附材料

翁惠琼，黄河，王雯菲，李和国，李晓鹏，张守鑫，李树华，赵越，吴玉芳，乔智威

《化学学报》

2026

Integrating Molecular Simulations, Interpretable Machine Learning and Metal-Organic Framework Identifier Analysis for the Discovery of Hydrophobic Metal-Organic Frameworks with High Adsorption Capacity for Sulfur Mustard Simulants

Zhongyuan Ming, Xue-Feng Bai, Yu Li, Kexin Guan, Xinyu Zhang, Huisheng Yao, Min Zhang, Shouxin Zhang, Xiao-Shan Yan, He-Guo Li, Xiao-Peng Li, Yufang Wu, Yue Zhao, Zhiwei Qiao

Engineering Sciences

DOI

2026

AI agent-driven discovery of metal-organic frameworks for radon capture: Integrating machine learning and molecular simulation

Jinpeng Zhang, Baiming Liang, Tai-Shan Li, Yuan Li, Shitong Lin, Manqiu Liu, Honghao Li, Yueying Zeng, Xuejiao Sun, Chong-Xiong Duan, Zhiwei Qiao

Chemical Engineering and Science

DOI

2026

Fluorinated epoxy acrylate liquid-repellent coating resisting CWAs simulants

Yan Cui, Zhiwei Qiao, Chao Guo, Li-Kun Chen, Yongchao Zheng, He Zheng

Journal of Physics, Conference Series

DOI

2026

Pore topology fingerprints and big-data mining to accelerate the design of high-performance metal-organic frameworks

Yu-Juan Yang, Qiu-Hong Huang, Shu-Hua Li, Juan-Juan Du, Zhongyuan Ming, He-Guo Li, Hong Liang, Kaikai Ma, L. Gong, Yinfang Lin, Yue Zhao, Yufang Wu, Zhiwei Qiao

Chemical Engineering and Science

DOI

2026

An electronic-structure–driven mechanism for enhanced electromagnetic wave absorption in p-block nonmetal–doped MXenes

Meng-Xian Liu, Miao Li, Zhiwei Qiao, Bo-Shi Gao, Jia-Le Fan, Dong-Dong Liu, Yu Zhang, Kai-Bo Yu, Tao Zhang, Xiaoxia Huang

Chemical Engineering Journal

DOI

2026

Big Data Mining and Transferable Machine Learning for the High Accurate Prediction of Gas Separation Metal-Organic Framework Membranes

Shuya Guo, Kexin Guan, Yi-Zhen Situ, Xueying Yuan, Yu-Juan Yang, Shu-Hua Li, Zhongyuan Ming, Min Zhang, Shouxin Zhang, He-Guo Li, Zili Liu, Qing-Yuan Yang, Kaikai Ma, Hong Liang, Yue Zhao, Yufang Wu, Zhiwei Qiao

Engineering Sciences

DOI

2026

Machine learning and MOFid assisted high-throughput computational screening of MOFs for kinetic adsorption of low-concentration NH3 from air

Yi-Nang Lin, Huiqiong Weng, L. Gong, Yufang Wu, Zhiwei Huang, Lanlan Zhang, Juan-Juan Du, Xi-Hui Ren, He Huang, Zhiwei Qiao

Chemical Engineering and Science

DOI

2026

Ice‐Templated Three‐Dimensional Aligned Boron Nitride Nanosheets/Cellulose Nanofibers Network for High‐Performance Thermally Conductive Epoxy Composites

Zeyu Li, Yi-Xiao Wang, Zhiwei Qiao, Ying Wang, Lixue Xiang, Bo Tang, S. Shi, Yifan Li, Wei Yu, Dong-Hai Lin, Yong-Hou Xiao, Jin Chen, Hui-Juan Guan, Tao Jiang, Jin-Hong Yu, Xin-Feng Wu

Polymer Composites

DOI

2026

AI Big-Data Mining Empowered by MOFid for High-Performance Chemical Warfare Agent Adsorbents

Huiqiong Weng, He Huang, Wen-Fei Wang, He-Guo Li, Xiao-Peng Li, Shouxin Zhang, Shu-Hua Li, Yue Zhao, Yufang Wu, Zhiwei Qiao

Acta Chimica Sinica

DOI

2026

Assembly of Tetra-benzotriazolate-based MOFs Featuring Boerdijk-Coxeter Helices with Accessible Cu(I) Sites for the Selective Adsorption of CO

Liang Gu, Zhangyi Xiong, He Huang, Yuanlong Zhong, Zhenning Yang, M. Infas H. Mohideen, Zhiwei Qiao, Zhijie Chen

Chinese Journal of Structural Chemistry

DOI

2025

机器学习辅助筛选MOFs缓蚀剂载体及其吸附性能预测

黄晓珊，关雅芳，李惠琳，龚凌涛，明忠源，李和国，赵越，吴玉芳，梁红，王雯菲，乔智威

《电镀与涂饰》

DOI

2025

A Multi-Method Approach to Analyzing MOFs for Chemical Warfare Simulant Capture: Molecular Simulation, Machine Learning, and Molecular Fingerprints

Zhongyuan Ming, Min Zhang, Shouxin Zhang, Xiao-Peng Li, Xiao-Shan Yan, Kexin Guan, Yu Li, Yufeng Peng, Jinfeng Li, He-Guo Li, Yue Zhao, Zhiwei Qiao

Nanomaterials

DOI

2025

Efficient and explainable transformer-based language models for property prediction in metal-organic frameworks

Yi-Zhen Situ, Yanling Chen, Wenxuan Li, Zhiwei Qiao, Lifeng Ding, Qing-Yuan Yang

Chemical Engineering Journal

DOI

2025

Interpretable Machine‐Learning and Big Data Mining to Predict the CO2 Separation in Polymer‐MOF Mixed Matrix Membranes

Hao Wan, Yue Fang, Ming Hu, Shuya Guo, Zhiqiang Sui, Xiaoshan Huang, Zili Liu, Yue Zhao, Hong Liang, Yufang Wu, Hanyu Gao, Zhiwei Qiao

Advancement of science

DOI

2025

Mechanochemical processing of interface-integrated mixed-matrix membranes for efficient gas separations

Kunxiang Lei, Xin-Xi Huang, Yi-Hao Xiao, Kun Niu, He Huang, Zhiwei Qiao, Wan-Bin Li

Journal of Materials Chemistry A

DOI

2024

氨基酸修饰的MOF-808催化降解神经毒剂的模拟酶性质研究

刘克清，崔燕，于琼，陈立坤，郑永超，乔智威，郑禾

《化工学报》

2024

基于机器学习和大数据挖掘的金属-有机框架研究

明忠源，乔智威，李振，李晓鹏，赵越，李和国

《广州大学学报(自然科学版)》

2024

面向手性药物布洛芬拆分和运载的高能金属有机框架的机器学习-大数据研究

乔智威，柯诗晴，关珂昕，许方怡，黄晓珊，关雅芳

《广州大学学报(自然科学版)》

2024

Recent advances in cotton fabric-based photocatalytic composites for the degradation of organic contaminants.

Gang Xia, Yin-Tung Lam, Suju Fan, Xueyan Bian, Peng Qi, Zhiwei Qiao, Kai-Kai Ma, J. Xin

Carbohydrate Polymers

DOI

2024

Deep learning and big data mining for Metal-Organic frameworks with high performance for simultaneous desulfurization and carbon capture.

Kexin Guan, Fangyi Xu, Xiaoshan Huang, Yu Li, Shuya Guo, Yi-Zhen Situ, You-An Chen, Jianming Hu, Zili Liu, Hong Liang, Xin Zhu, Yufang Wu, Zhiwei Qiao

Journal of Colloid and Interface Science

DOI

2024

Data-Driven and Machine Learning to Screen Metal–Organic Frameworks for the Efficient Separation of Methane

Ya-Fang Guan, Xiaoshan Huang, Fangyi Xu, Wen-Fei Wang, Huiling Li, L. Gong, Yue Zhao, Shuya Guo, Hong Liang, Zhiwei Qiao

Nanomaterials

DOI

2024

Stable heterometallic metal-organic frameworks and pellet composites for low-temperature natural gas storage

Yuanlong Zhong, Zhang-Yi Xiong, Yu Li, Hancheng Shi, Ruiying Chen, Hairui Liang, Zhiwei Qiao, Zhi-Jie Chen

Chemical Engineering Journal

DOI

2024

Unraveling the separation mechanism of gas mixtures in MOFs by combining the breakthrough curve with machine learning and high-throughput calculation

Jinfeng Li, Yu Li, Yi-Zhen Situ, Yufang Wu, Wen-Fei Wang, Lanqing Huang, Chengzhi Cai, Xiaoshan Huang, Ya-Fang Guan, Shouxin Zhang, He-Guo Li, Li Li, Yue Zhao, Hong Liang, Zhiwei Qiao

Chemical Engineering and Science

DOI

2024

A two-dimensional metal-organic framework assembled from scandium-based cages for the selective capture of sulfur hexafluoride.

Hao Wang, Le Shi, Zhang-Yi Xiong, Si Ma, Hong-Hao Cao, Shijia Cai, Zhi-Wei Qiao, Jun-Yin Pan, Zhi-Jie Chen

Chemical Communications

DOI

2024

Topological Data Analysis Combined with High-Throughput Computational Screening of Hydrophobic Metal–Organic Frameworks: Application to the Adsorptive Separation of C3 Components

Yu-Juan Yang, Shuya Guo, Shu-Hua Li, Yufang Wu, Zhi-Wei Qiao

Nanomaterials

DOI

2024

Molecular fingerprint and machine learning enhance high-performance MOFs for mustard gas removal

Jing-Jing Ni, Jinfeng Li, Shu-Hua Li, He Zheng, Zhongyuan Ming, Li Li, Heguo Li, Shouxin Zhang, Yue Zhao, Hong Liang, Zhi-Wei Qiao

iScience

DOI

2024

Engineering of Covalent Organic Framework Nanosheet Membranes for Fast and Efficient Ion Sieving: Charge‐Induced Cation Confined Transport

Rui Wang, Li Ding, Jian Xue, Hao-Yu Wu, Chengzhi Cai, Zhi-Wei Qiao, J. Caro, Hai-Hui Wang

Small Methods

DOI

2024

Tunable Nonlinear Optical Properties Based on Metal–Organic Framework Single Crystals

Hongye Yuan, Xue-Li Xu, Zhi-Wei Qiao, Dileep Kottilil, Dongchen Shi, Wei-Dong Fan, Y. Yuan, Xin Yu, Anu Babusenan, Mingming Zhang, Wei Ji

Advanced Optical Materials

DOI

2023

Reticular Chemistry in Pore Engineering of a Y-Based Metal-Organic Framework for Xenon/Krypton Separation.

Xi-Yu Song, Qiu-Hong Huang, Jiaqing Liu, Hao-Miao Xie, Karam B. Idrees, Shujing Hou, Liang Yu, Xing-Jie Wang, Fusheng Liu, Zhi-Wei Qiao, Hao Wang, Yong-Wei Chen, Zhi-Bo Li, O. Farha

ACS Applied Materials and Interfaces

DOI

2023

High-throughput computational screening and molecular fingerprint design of metal-organic framework adsorbents for separation of C3 components

Chengzhi Cai, Lifeng Li, Ya-Fang Guan, Xiaoshan Huang, Shi-Qing Ke, Wen-Fei Wang, Yu Li, Yu-Juan Yang, Hong Liang, Shu-Hua Li, Yufang Wu, Hanyu Gao, Zhi-Wei Qiao

Giant

DOI

2023

Computational screening and machine learning of hydrophobic metal-organic frameworks for removal of chemical warfare agents from air

Xiao Yang, Qiu-Hong Huang, Lulu Zhang, Lifeng Li, Yu Chen, Wei Wang, Hong Liang, Yufang Wu, Hejiao Zheng, Yue Zhao, Zhi-Wei Qiao

Applied Materials Today

DOI

2023

Interpretable Machine‐Learning and Big Data Mining to Predict Gas Diffusivity in Metal‐Organic Frameworks

Shuya Guo, Xiaoshan Huang, Yi-Zhen Situ, Qiu-Hong Huang, Kexin Guan, Jiaxin Huang, Wei Wang, Xiangning Bai, Zili Liu, Yufang Wu, Zhi-Wei Qiao

Advancement of science

DOI

2023

Phenothiazine-linked covalent triazine frameworks for enhanced photocatalytic aerobic oxidation reactions

Yanlu Hu, Yongfei Ji, Zhi-Wei Qiao, Lianpeng Tong

Microporous and Mesoporous Materials

DOI

2023

Machine learning assisted high-throughput computational screening of MOFs for the capture of chemical warfare agents from the air

Wen-Fei Wang, Lulu Zhang, Chengzhi Cai, Shu-Hua Li, Hong Liang, Yufang Wu, He Zheng, Zhi-Wei Qiao

Separation and Purification Technology

DOI

2023

High dynamic separation performance of metal–organic frameworks for D2/H2: Independent or competitive adsorption?

Yu Li, Yi-Zhen Situ, Kexin Guan, Ya-Fang Guan, Xiaoshan Huang, Chengzhi Cai, Shu-Hua Li, Zili Liu, Hong Liang, Yufang Wu, Qing-Yuan Yang, Zhi-Wei Qiao

AIChE Journal

DOI

2023

Unravelling the correlation of dielectric barrier discharge power and performance of Pt/CeO2 catalysts for toluene oxidation

Bangfen Wang, Xiu-Feng Li, Yu-Hai Sun, Hai-Lin Xiao, Ming-Li Fu, Shu-Hua Li, Hong Liang, Zhi-Wei Qiao, D. Ye

Catalysis Science & Technology

DOI

2023

Machine learning and molecular fingerprint screening of high-performance 2D/3D MOF membranes for Kr/Xe separation

Qiu-Hong Huang, Xueying Yuan, Lifeng Li, Yaling Yan, Xiao Yang, Wei Wang, Yu Chen, Hong-Ping Liang, Hanyu Gao, Yufang Wu, Zhi-Wei Qiao

Chemical Engineering and Science

DOI

2023

Automatic Machine Learning Combined with High-Throughput Computational Screening of Hydrophobic Metal–Organic Frameworks for Capture of Methanol and Ethanol from the Air

Lulu Zhang, Qiu-Hong Huang, Lifeng Li, Yaling Yan, Xueying Yuan, Hong Liang, Shu-Hua Li, Bangfen Wang, Zhi-Wei Qiao

ACS ES&T Engineering

DOI

2022

Mechanistic Insights into the Promotion of Low-Temperature Nh3-Scr Catalysis by Copper Auto-Reduction in Cu-Zeolites

Dongdong Chen, Yaling Yan, Anqi Guo, Valentina Rizzotto, Huarong Lei, Zhiwei Qiao, Hong Yu Liang, Magdalena Jabłońska, Xiangqiong Jiang, Jiuxing Jiang, Regina Palkovits, Peirong Chen, Daiqi Ye, Ulrich Simon

Applied Catalysis B: Environmental

DOI

2022

Machine learning and in-silico screening of metal–organic frameworks for O2/N2 dynamic adsorption and separation

Yaling Yan, Zenan Shi, Huilin Li, Lifeng Li, Xiao Yang, Shu-Hua Li, Hong Liang, Zhi-Wei Qiao

DOI

2022

Machine Learning-Assisted Computational Screening of Metal-Organic Frameworks for Atmospheric Water Harvesting

Lifeng Li, Zenan Shi, Hong Liang, Jie Liu, Zhi-Wei Qiao

Nanomaterials

DOI

2022

Combining Computational Screening and Machine Learning to Predict Metal–Organic Framework Adsorbents and Membranes for Removing CH4 or H2 from Air

Hui-Lin Li, Cui-Miao Wang, Yue Zeng, Dong Li, Yaling Yan, Xin Zhu, Zhi-Wei Qiao

Membranes

DOI

2022

An Imidazole-Based Triangular Macrocycle for Visual Detection of Formaldehyde.

Min‐Ya Yu, Liang-Huan Xu, Zhike Zhang, Zhi-Wei Qiao, Pei-Yang Su, Pingshan Wang, Ting-Zheng Xie

Inorganic Chemistry

DOI

2022

Machine-Learning-Assisted High-Throughput Computational Screening of Metal–Organic Framework Membranes for Hydrogen Separation

Xiang-Ning Bai, Zenan Shi, Huan Xia, Shu-Hua Li, Zi-Li Liu, Hong Liang, Zhi-Ting Liu, Bangfen Wang, Zhi-Wei Qiao

Chemical Engineering Journal

DOI

2022

Free-standing homochiral 2D monolayers by exfoliation of molecular crystals

Jinqiao Dong, Ling-Mei Liu, Chun-Xia Tan, Qisong Xu, Jiachen Zhang, Zhi-Wei Qiao, Dandan Chu, Yan Liu, Qun Zhang, Jian-Wen Jiang, Yu Han, A. Davis, Yong Cui

Nature

DOI

2022

Large-Scale Screening and Machine Learning for Metal–Organic Framework Membranes to Capture CO2 from Flue Gas

Yi-Zhen Situ, Xueying Yuan, Xiang-Ning Bai, Shu-Hua Li, Hong Liang, Xin Zhu, Bangfen Wang, Zhi-Wei Qiao

Membranes

DOI

2022

Dielectric barrier discharge plasma modified Pt/CeO2 catalysts for toluene oxidation: Effect of discharge time

Bangfen Wang, Ni Wang, Yu-Hai Sun, Hai-Lin Xiao, Ming-Li Fu, Shu-Hua Li, Hong Liang, Zhi-Wei Qiao, D. Ye

Applications of Surface Science

DOI

2022

A Photofunctional Platform of Bis-terpyridine Ruthenium Complex-Linked Coordination Polymers with Structural Diversity

Lianpeng Tong, Zhi-Wei Qiao, Aichun Wu, Y. Tang, Xin‐Le Li, Bao-Qiang Zhang, Ai-Jin Zhou

Journal of Materials Chemistry A

DOI

2021

工程教育认证理念下的无机化学实验课程教学改革探索

林璟，乔智威，左建良，杨伟，王琪莹，刘自力

《当代化工研究》

2021

Implanting polyethylene glycol into MIL-101(Cr) as hydrophobic barrier for enhancing toluene adsorption under highly humid environment

Jiaxing Wang, Yaseen Muhammad, Zhu Gao, Syed Jalil Shah, Shuangxi Nie, Lihan Kuang, Zhong-Xing Zhao, Zhi-Wei Qiao, Zhen-Xia Zhao

DOI

2021

Mechanochemical synthesis of a robust cobalt-based metal–organic framework for adsorption separation methane from nitrogen

C. Zhang, Yong-Wei Chen, Hou-Xiao Wu, Huilin Li, Xinyuan Li, Shi Tu, Zhi-Wei Qiao, D. An, Qi-Bin Xia

Chemical Engineering Journal

DOI

2021

Molecular fingerprint and machine learning to accelerate design of high‐performance homochiral metal–organic frameworks

Zhi-Wei Qiao, Lifeng Li, Shu-Hua Li, Hong Liang, Jian Zhou, R. Snurr

AIChE Journal

DOI

2021

Techno-economic analysis of metal–organic frameworks for adsorption heat pumps/chillers: from directional computational screening, machine learning to experiment

Zenan Shi, Xueying Yuan, Yaling Yan, Y. Tang, Jun-Jie Li, Hong Liang, Lianpeng Tong, Zhi-Wei Qiao

Journal of Materials Chemistry A

DOI

2021

Solution‐Processable Metal–Organic Framework Nanosheets with Variable Functionalities

Hongye Yuan, Guoliang Liu, Zhi-Wei Qiao, Nan-Xi Li, P. J. Buenconsejo, Shi-Bo Xi, Avishek Karmakar, Mengsha Li, H. Cai, S. Pennycook, Dan Zhao

Advances in Materials

DOI

2021

Metal–Organic Frameworks for Xylene Separation: From Computational Screening to Machine Learning

Zhi-Wei Qiao, Yaling Yan, Yaxing Tang, Hong Liang, Jian-Wen Jiang

DOI

2021

Metal‐Organic Frameworks: Solution‐Processable Metal–Organic Framework Nanosheets with Variable Functionalities (Adv. Mater. 29/2021)

Hongye Yuan, Guoliang Liu, Zhi-Wei Qiao, Nan-Xi Li, P. J. Buenconsejo, Shi-Bo Xi, Avishek Karmakar, Mengsha Li, H. Cai, Stephen J. Pennycook, Dan Zhao

Advances in Materials

DOI

2021

Adsorption behavior of metal-organic frameworks: From single simulation, high-throughput computational screening to machine learning

Yaling Yan, Lulu Zhang, Shu-Hua Li, Hong Liang, Zhi-Wei Qiao

DOI

2021

Molecular-fingerprint machine-learning-assisted design and prediction for high-performance MOFs for the capture of NMHCs from air

Xueying Yuan, Lifeng Li, Zenan Shi, Hong Liang, Shu-Hua Li, Zhi-Wei Qiao

Advanced Powder Materials

DOI

2020

金属Sr、Fe掺杂对LaCoO3催化氧化碳烟及抗硫性能影响

魏炜，吴艾纯，乔智威，李树华，梁红，彭峰

《无机化学学报》

2020

基于机器学习和高通量计算筛选金属有机框架的甲烷/乙烷/丙烷分离性能

蔡铖智，李丽凤，邓小梅，李树华，梁红，乔智威

《化学学报》

2020

Machine learning and high-throughput computational screening of hydrophobic metal–organic frameworks for capture of formaldehyde from air

Xueying Yuan, Xiaomei Deng, Chengzhi Cai, Zenan Shi, Hong Liang, Shu-Hua Li, Zhi-Wei Qiao

Green Energy & Environment

DOI

2020

Machine Learning and High-throughput Computational Screening of Metal-organic Framework for Separation of Methane/ethane/propane

Chengzhi Cai, Lifeng Li, Xiaomei Deng, Shu-Hua Li, Hong Liang, Zhi-Wei Qiao

Acta Chimica Sinica

DOI

2020

Machine-learning-assisted high-throughput computational screening of high performance metal–organic frameworks

Zenan Shi, Wenyuan Yang, Xiaomei Deng, Chengzhi Cai, Yaling Yan, Hong Liang, Zi-Li Liu, Zhi-Wei Qiao

Molecular Systems Design & Engineering

DOI

2020

Large-Scale Screening and Machine Learning to Predict the Computation-Ready, Experimental Metal-Organic Frameworks for CO2 Capture from Air

Xiaomei Deng, Wenyuan Yang, Shu-Hua Li, Hong Liang, Zenan Shi, Zhi-Wei Qiao

Applied Sciences

DOI

2020

Machine learning and in silico discovery of metal-organic frameworks: Methanol as a working fluid in adsorption-driven heat pumps and chillers

Zenan Shi, Hong Liang, Wenyuan Yang, Jie Liu, Zi-Li Liu, Zhi-Wei Qiao

DOI

2020

Adsorption and separation of propane/propylene on various ZIF-8 polymorphs: Insights from GCMC simulations and the ideal adsorbed solution theory (IAST)

Li-Bo Li, Yi-Fan Duan, Shouwei Liao, Qia Ke, Zhi-Wei Qiao, Yan-Ying Wei

DOI

2020

Molecular Understanding and Design of Porous Polyurethane Hydrogels with Ultralow-Oil-Adhesion for Oil-Water Separation.

Jian-Jia Huang, Zhen-Qiang Zhang, Jiahao Weng, Dan-Feng Yu, Yueyan Liang, Xiubin Xu, Zhi-Wei Qiao, Gan-Wei Zhang, Hui Yang, Xu Wu

ACS Applied Materials and Interfaces

DOI

2020

Highly rapid mechanochemical synthesis of a pillar-layer metal-organic framework for efficient CH4/N2 separation

Yong-Wei Chen, Hou-Xiao Wu, Yinuo Yuan, Daofei Lv, Zhi-Wei Qiao, D. An, Xuan-Jun Wu, Hong Liang, Zhong Li, Qi-Bin Xia

DOI

2020

Chiral metal-organic frameworks with tunable catalytic selectivity in asymmetric transfer hydrogenation reactions

Xu Chen, Zhi-Wei Qiao, Bang Hou, Hong Jiang, Wei Gong, Jinqiao Dong, Hai-Yang Li, Yong Cui, Yan Liu

Nano Reseach

DOI

2019

不同金属负载对Cr/Al2O3-TiO2催化剂结构及氧化NO性能的影响

魏炜，牟一蒙，梁红，李树华，乔智威，彭峰

《无机化学学报》

2019

Fe掺杂对La0.9Sr0.1Co1-xFexO3催化剂同时净化NO和碳烟活性规律研究

魏炜，乔智威，李树华，苗梦涵，梁红，彭峰

《化工学报》

2019

Cerium Doped Pt/TiO2 for Catalytic Oxidation of Low Concentration Formaldehyde at Room Temperature

Yuan-Yuan Shi, Zhi-Wei Qiao, Zi-Li Liu, Jian-Liang Zuo

Catalysis Letters

DOI

2019

Identifying the best metal–organic frameworks and unravelling different mechanisms for the separation of pentane isomers

Zhi-Wei Qiao, A. Cheetham, Jian-Wen Jiang

Molecular Systems Design & Engineering

DOI

2019

A new anti-biofilm strategy of enabling arbitrary surfaces of materials and devices with robust bacterial anti-adhesion via a spraying modified microsphere method

Jietao Hu, Jing Lin, Yayu Zhang, Ze Lin, Zhi-Wei Qiao, Zi-Li Liu, Wei Yang, Xiaoguo Liu, Meng-Yao Dong, Zhan-Hu Guo

Journal of Materials Chemistry A

DOI

2019

Encapsulation and Protection of Ultrathin Two-Dimensional Porous Organic Nanosheets within Biocompatible Metal–Organic Frameworks for Live-Cell Imaging

Jinqiao Dong, Zhi-Wei Qiao, Yutong Pan, Shing Bo Peh, Y. Yuan, Yu-Xiang Wang, Lin-Zhi Zhai, Hongye Yuan, Youdong Cheng, Hong Liang, Bin Liu, Dan Zhao

Chemistry of Materials

DOI

2019

Amino Acid Imprinted UiO-66s for Highly Recognized Adsorption of Small Angiotensin-Converting-Enzyme-Inhibitory Peptides.

Long Liu, Zhi-Wei Qiao, Xinfang Cui, Chunjiao Pang, Hong Liang, Peng Xie, Xuan-Gan Luo, Zu-Qiang Huang, Yan-Juan Zhang, Zhong-Xing Zhao

ACS Applied Materials and Interfaces

DOI

2019

Ethane-Selective Behavior Achieved on a Nickel-Based Metal–Organic Framework: Impact of Pore Effect and Hydrogen Bonds

Hou-Xiao Wu, Yong-Wei Chen, Wenyuan Yang, Daofei Lv, Yinuo Yuan, Zhi-Wei Qiao, Hong Liang, Zhong Li, Qi-Bin Xia

Industrial & Engineering Chemistry Research

DOI

2019

Computational Screening of Metal–Organic Framework Membranes for the Separation of 15 Gas Mixtures

Wenyuan Yang, Hong Liang, Feng Peng, Zi-Li Liu, Jie Liu, Zhi-Wei Qiao

Nanomaterials

DOI

2019

Functional UiO-66 for the removal of sulfur-containing compounds in gas and liquid mixtures: A molecular simulation study

Wan Wei, Kang Zhang, Zhi-Wei Qiao, Jian-Wen Jiang

Chemical Engineering Journal

DOI

2019

Hydrophobic Shielding of Outer Surface: Enhancing the Chemical Stability of Metal-Organic Polyhedra.

Samraj Mollick, S. Mukherjee, Dongwook Kim, Zhi-Wei Qiao, Aamod V. Desai, R. Saha, Y. More, Jian-Wen Jiang, M. Lah, S. Ghosh

Angewandte Chemie

DOI

2019

Combining large-scale screening and machine learning to predict the metal-organic frameworks for organosulfurs removal from high-sour natural gas

Hong Liang, Wenyuan Yang, Feng Peng, Zi-Li Liu, Jie Liu, Zhi-Wei Qiao

APL Materials

DOI

2019

Superoxide Decay Pathways in Oxygen Reduction Reaction on Carbon-Based Catalysts Evidenced by Theoretical Calculations.

Yu-Hang Li, Zhi-Wei Qiao, Yong Cao, Hong-juan Wang, Hong Liang, Hao Yu, F. Peng

ChemSusChem

DOI

2019

Self-Assembly of Highly Stable Zirconium (IV) Coordination Cages with Aggregation Induced Emission (AIE) Molecular Rotors for Live-Cell Imaging.

Jinqiao Dong, Yutong Pan, Heng Wang, Kuiwei Yang, Ling-Mei Liu, Zhi-Wei Qiao, Y. Yuan, Shing Bo Peh, Jian Zhang, Lei-Lei Shi, Hong Liang, Yu Han, Xiaopeng Li, Jian-Wen Jiang, Bin Liu, Dan Zhao

Angewandte Chemie

DOI

2019

Cover Feature: Superoxide Decay Pathways in Oxygen Reduction Reaction on Carbon‐Based Catalysts Evidenced by Theoretical Calculations (ChemSusChem 6/2019)

Yu-Hang Li, Zhi-Wei Qiao, Yong Cao, Hong-juan Wang, Hong Liang, Hao Yu, F. Peng

DOI

2019

Self‐Assembly of Highly Stable Zirconium(IV) Coordination Cages with Aggregation Induced Emission Molecular Rotors for Live‐Cell Imaging

Jinqiao Dong, Yutong Pan, Heng Wang, Kuiwei Yang, Lingmei Liu, Zhiwei Qiao, Yi Di Yuan, Shing Bo Peh, Jian Zhang, Leilei Shi, Hong Liang, Yu Han, Xiaopeng Li, Jianwen Jiang, Bin Liu, Dan Zhao

Angewandte Chemie

DOI

2018

高通量筛选金属-有机框架:分离天然气中的硫化氢和二氧化碳

杨文远，梁红，乔智威

《化学学报》

2018

Unusual Moisture-Enhanced CO2 Capture within Microporous PCN-250 Frameworks.

Yong-Wei Chen, Zhi-Wei Qiao, Jiali Huang, Hou-Xiao Wu, Jing Xiao, Qi-Bin Xia, Hong-Xia Xi, Jun Hu, Jian Zhou, Zhong Li

ACS Applied Materials and Interfaces

DOI

2018

High-throughput computational screening of metal-organic framework membranes for upgrading of natural gas

Zhi-Wei Qiao, Qisong Xu, Jian-Wen Jiang

DOI

2018

Mn3 O4 @C Nanoparticles Supported on Porous Carbon as Bifunctional Oxygen Electrodes and their Electrocatalytic Mechanism

Wan-Qing Li, Hong-Quan Fu, Yong Cao, Hong-juan Wang, Hao Yu, Zhi-Wei Qiao, Hong Liang, F. Peng

ChemElectroChem

DOI

2018

Molecular simulation study of wet flue gas adsorption on zeolite 13X

M. J. Purdue, Zhi-Wei Qiao

DOI

2018

Computational screening of hydrophobic metal–organic frameworks for the separation of H2S and CO2 from natural gas

Zhi-Wei Qiao, Qisong Xu, Jian-Wen Jiang

DOI

2018

Design and self-assembly of hexahedral coordination cages for cascade reactions

Jing-Jing Jiao, Zi-Jian Li, Zhi-Wei Qiao, Xu Li, Yan Liu, Jinqiao Dong, Jian-Wen Jiang, Yong Cui

Nature Communications

DOI

2018

An Ultramicroporous Nickel-Based Metal–Organic Framework for Adsorption Separation of CO2 over N2 or CH4

Yong-Wei Chen, Hou-Xiao Wu, Daofei Lv, Wenyuan Yang, Zhi-Wei Qiao, Zhong Li, Qi-Bin Xia

Energy & Fuels

DOI

2018

Protein Translocation through a MoS2 Nanopore:A Molecular Dynamics Study

Huang Chen, Libo Li, Zhang Tao, Zhi-Wei Qiao, Jin-Hui Tang, Jian Zhou

DOI

2018

Fabrication of ultralong ceria nanobelts via a coordination polymer precursor method

Yuan Li, Hong-Hong Zou, Zhi-Wei Qiao, Yuanyuan Liao, Lei Wang, Sheng-Liang Zhong

DOI

2018

An ethane-trapping MOF PCN-250 for highly selective adsorption of ethane over ethylene

Yong-Wei Chen, Zhi-Wei Qiao, Hou-Xiao Wu, Daofei Lv, R. Shi, Qi-Bin Xia, Jian Zhou, Zhong Li

DOI

2018

Selective gas diffusion in two-dimensional MXene lamellar membranes: insights from molecular dynamics simulations

Li-Bo Li, Tao Zhang, Yi-Fan Duan, Yan-Ying Wei, Chao-Jie Dong, Li Ding, Zhi-Wei Qiao, Hai-Hui Wang

DOI

2018

High-Throughput Screening of Metal-Organic Frameworks for the Separation of Hydrogen Sulfide and Carbon Dioxide from Natural Gas

Wenyuan Yang, Hong Liang, Zhi-Wei Qiao

DOI

2017

High-Throughput Computational Screening of Metal–Organic Frameworks for Thiol Capture

Zhi-Wei Qiao, Qisong Xu, A. Cheetham, Jian-Wen Jiang

DOI

2017

gem型スーパースプレッダ:合成,広がり挙動と超拡張機構【Powered by NICT】

Jing Lin, Wei Wang, Wen-Lin Bai, Ming-Ning Zhu, Cheng Zheng, Zi-Li Liu, Xian-Fang Cai, Dongdong Lu, Zhi-Wei Qiao, Fu-Qu Chen, Jie-Xing Chen

2017

Molecular Design of Zirconium Tetrazolate Metal–Organic Frameworks for CO2 Capture

Kang Zhang, Zhi-Wei Qiao, Jian-Wen Jiang

DOI

2017

Selective Adsorption of Light Alkanes on a Highly Robust Indium Based Metal–Organic Framework

Yong-Wei Chen, Zhi-Wei Qiao, Daofei Lv, Hou-Xiao Wu, R. Shi, Qi-Bin Xia, Hai-Hui Wang, Jian Zhou, Zhong Li

DOI

2017

ZnOナノロッドを有する超疎水性表面の抗着霜性能【Powered by NICT】

Zhi-Ping Zuo, Rui-Jin Liao, Xue-Tong Zhao, Xiao-Yuan Song, Zhi-Wei Qiao, Chao Guo, Ao-Yun Zhuang, Yuan Yuan

2017

Anti-frosting performance of superhydrophobic surface with ZnO nanorods

Zhi-Ping Zuo, Rui-Jin Liao, Xue-Tong Zhao, Xiao-Yu Song, Zhi-Wei Qiao, Chao Guo, Ao-Yun Zhuang, Yuan Yuan

DOI

2017

A gemini-type superspreader: Synthesis, spreading behavior and superspreading mechanism

Jing Lin, Wei Wang, Wen-Lin Bai, Ming-Ning Zhu, Cheng Zheng, Zi-Li Liu, Xian-Fang Cai, Dongdong Lu, Zhi-Wei Qiao, Fu-Qu Chen, Jie-Xing Chen

DOI

2017

Efficient adsorptive separation of C3H6 over C3H8 on flexible and thermoresponsive CPL-1

Yong-Wei Chen, Zhi-Wei Qiao, Daofei Lv, Chongxiong Duan, Xuejiao Sun, Hou-Xiao Wu, R. Shi, Qi-Bin Xia, Zhong Li

DOI

2016

Materials Studio软件在分子模拟课程教学中的应用

李映图，乔智威，李理波，周健

《广州化工》

2016

CO2/N2/CH4混合物の分離膜としての金属‐有機フレームワーク137953種の高スループット計算機スクリーニング

Zhi-Wei Qiao, Chun-Wang Peng, Jian Zhou, Jian-Wen Jiang

2016

In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

Zhi-Wei Qiao, Kang Zhang, Jian-Wen Jiang

DOI

2016

Design of amine-functionalized metal-organic frameworks for CO2 separation: the more amine, the better?

Zhi-Wei Qiao, Nanyi Wang, Jian-Wen Jiang, Jian Zhou

Chemical Communications

DOI

2016

Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation Study.

K. M. Gupta, Zhi-Wei Qiao, Kang Zhang, Jian-Wen Jiang

ACS Applied Materials and Interfaces

DOI

2016

High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO2/N2/CH4 mixture

Zhi-Wei Qiao, Chun-Wang Peng, Jian Zhou, Jian-Wen Jiang

DOI

2015

Polydopamine-based synthesis of a zeolite imidazolate framework ZIF-100 membrane with high H2/CO2 selectivity

Nanyi Wang, Yi Liu, Zhi-Wei Qiao, L. Diestel, Jian Zhou, A. Huang, J. Caro

DOI

2014

面向生物甲烷分离的不同金属配位金属-有机骨架材料的分子设计

乔智威，杨仁党，王海辉，周健

《化工学报》

2014

生物相容性金属-有机骨架材料负载药物的分子模拟

乔智威，李理波，周健

《高等学校化学学报》

2014

Advanced Monte Carlo simulations of the adsorption of chiral alcohols in a homochiral metal-organic framework

Zhi-Wei Qiao, A. Torres-Knoop, D. Dubbeldam, D. Fairen-jimenez, Jian Zhou, R. Snurr

DOI

2014

Designing new amine functionalized metal-organic frameworks for carbon dioxide/methane separation

Zhi-Wei Qiao, Jian Zhou, Xiao-Hua Lu

DOI

2014

Molecular dynamics simulations on the melting of gold nanoparticles

Zhi-Wei Qiao, Haijun Feng, Jian Zhou

DOI

2014

Molecular Simulations of Bio-compatible Metal-organic Frameworks for Drug Carrier Application

Zhi-Wei Qiao, Li-Bo Li, Jian Zhou

2013

流体混合物吸附分离的分子模拟研究

乔智威

《华南理工大学》

2013

Noble gas adsorption in copper trimesate, HKUST-1: An experimental and computational study

Z. Hulvey, K. Lawler, Zhi-Wei Qiao, Jian Zhou, D. Fairen-jimenez, R. Snurr, S. Ushakov, A. Navrotsky, C. Brown, P. Forster

DOI

2012

H2S/N2 混合物在碳纳米管中吸附分离的分子模拟

Zhi-Wei Qiao, Shu-Hua Ren, Jian Zhou

DOI

2011

Molecular simulation on the separation of water/ethanol azeotropic mixture by poly(vinyl alcohol) membrane

Zhi-Wei Qiao, Yi-Ling Wu, Xiao-wei Li, Jian Zhou

DOI

预印本

2023

Big Data Mining for High-Performance Metal-Organic Framework Membranes by Visualization of Gas Polarizability

Yizhen Situ, Xueying Yuan, Wenyuan Yang, Zenan Shi, Yaling Yan, Shuhua Li, Zili Liu, Qingyuan Yang, Yufang Wu, Hong Liang, Zhiwei Qiao

SSRN Electronic Journal

DOI

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