Haijie Cao, associate professor, distinguished professor. She obtained PhD degree from Instite of Environmental Research, Shandong University at June 2016. Her research interest is to understand the atomistic and electronic structure and mechanistic/kinetic properties of materials using theoretical tools. Now she is working on theoretical studies on the following systems: (1) Theoretical study on the structure and reaction mechanism of organic pollutants; (2) Multi-scale molecular simulation of the structures and properties of nanomaterials. She has published 20 papers on international journals, such as Environmental Science and Technology、Chemosphere.

Email：caohj@qdu.edu.cn

Selected Publications：

22) Zining Sun, Huanyu Liang, Huanlei Wang*, Jing Shi, Minghua Huang, Jingwei Chen, Shuai Liu, Weiqian Tian, Haijie Cao*, Zhi Li*. Spatially Confined “Edge-to-Edge” Strategy for Achieving Compact Na+/K+ Storage: Constructing Hetero-Ni/Ni3S2 in Densified Carbons，Advanced Functional Materials, 2022, 2203291. https://doi.org/10.1002/adfm.202203291.

21) Jiajia Song≠, Na Liu≠, Jiakai Li, Yingze Cao*, Haijie Cao*. Facile fabrication of highly hydrophobic onion-like candle soot-coated mesh for durable oil/water separation, Nanomaterials, 2022, 12(5), 761.

20) Wenjie Zhang, Yujia Zhang, Hao Yuan, Jiaxin Li, Lei Ding, Shuai Chu, Lin Wang, Wei Zhai, Ruijie Zhu, Haijie Cao*, Zhengbo Jiao*. Built-in electron transport channels and interfacial ions doping in BiVO4 modified with isolated Ni atoms anchored on carbon hollow matrix for boosting charge separation and transport efficiency, Chemical Engineering Journal, 2022, 437, 135272.

19) Liting Yang≠, Guisheng Liang≠, Haijie Cao≠, Siyuan Ma, Xuehua Liu, Xiao Li, Guanyu Chen, Wenbin You, Chunfu Lin*, Renchao Che*. A new sodium calcium cyclotetravanadate framework: “zero-strain” during large-capacity lithium intercalation, Advanced Functional Materials, 2022, 32(1):2105026.

18) Yanxin Liao≠, Hai-Chao Chen≠,*, Chun Yang, Rui Liu, Zhiwei Peng, Haijie Cao*, Kuikui Wang*. Unveiling performance evolution mechanisms of MnO2 polymorphs for durable aqueous zinc-ion batteries, Energy Storage Materials, 2022, 44: 508-516.

17) Haijie Cao*, Kuikui Wang, Zhengqiang Yang, Shijie Wu, Dandan Han*. Quantum chemical study on the ozonolysis mechanism of guaiacol and the structure-reactivity relationship of phenols with hydroxyl, methoxy, and methyl substituents. Chemical Engineering Journal, 2021, 420, 127629.

16) Jinglin Li, Hao Yuan, Jiaxin Li, Wenjie Zhang, Yanqi Liu, Na Liu, Haijie Cao*, Zhengbo Jiao*, The significant role of the chemically bonded interfaces in BiVO4/ZnO heterostructures for photoelectrochemical water splitting, Applied Catalysis B: Environmental, 2021,285： 119833.

15) Chuanhui Zhang≠,*, Haijie Cao≠, Chao Wang, Maoxia He, Wangcheng Zhan, Yanglong Guo*. Catalytic mechanism and pathways of 1, 2-dichloropropane oxidation over LaMnO3 perovskite: An experimental and DFT study. Journal of Hazardous Materials, 2021, 402:  123473. (equal contribution)

14) Qiang Yu, Chengxiang Liu, Xingyun Li*, Chao Wang, Xixi Wang, Haijie Cao*, Muchen Zhao, Guanglei Wu, Weiguang Su, Tiantian Ma, Jun Zhang, Hongliang Bao, Jianqiang Wang, Bing Ding, Maoxia He, Yusuke Yamauchi*, Xiu Song Zhao, N-doping activated defective Co3O4 as an efficient catalyst for low-temperature methane oxidation. Applied Catalysis B: Environmental, 2020, 269: 118757.

13) Xiangzhen Zhu, Haijie Cao*, Renjie Li, Qingfeng Fu, Guisheng Liang, Yongjun Chen, Lijie Luo, Chunfu Lin*, Xiu Song Zhao, Zinc niobate materials: crystal structures, energy-storage capabilities and working mechanisms. Journal of Materials Chemistry A, 2019, 7:25537-25547.

12) Haichao Chen*, Sipeng Jiang, Binghui Xu, Chenghao Huang, Yuzhen Hu, Yanliang Qin, Maoxia He, Haijie Cao*, Sea-urchin-like nickel-cobalt phosphide/phosphate composites as advanced battery materials for hybrid supercapacitors, Journal of Materials Chemistry A, 2019, 7: 6241-6249.

11) Shouchun Bao, Tianqi Hou, QingkeTan, Xiangli Kong, Haijie Cao*, Maoxia He, Guanglei Wu*, Binghui Xu*, Immobilization of zinc oxide nanoparticles on graphene sheets for lithium ion storage and electromagnetic microwave absorption. Materials Chemistry and Physics, 2020, 245: 122766.

10) Haijie Cao*, Shijie Wu, Maoxia He*, Quantum chemical study on isomerization and transformation of hexabromocyclododecanes, Structural Chemistry, 2019, 30:899-910.

9) Haijie Cao*, Xin Li, Maoxia He*, X.S. Zhao, Computational study on the mechanism and kinetics of NO3-initiated atmosphere oxidation of vinyl acetate, Computational and Theoretical Chemistry, 2018, 1144: 18-25.

8) Maoxia He, Xin Li, Shiqing Zhang, Jianfei Sun, Haijie Cao*, Wenxing Wang, Mechanistic and kinetic investigation on OH-initiated oxidation of tetrabromobisphenol A, Chemosphere, 2016, 153: 262-269.

7) Haijie Cao, Xin Li, Dandan Han, Shiqing Zhang, Maoxia He*. OH-Initiated tropospheric photooxidation of allyl acetate (AAC): A theoretical study. Canadian Journal of Chemistry, 2016, 94(7): 648-657.

6）Haijie Cao, Dandan Han, Mingyue Li, Xin Li, Maoxia He*, Wenxing Wang, Theoretical investigation on mechanistic and kinetic transformation of 2,2′,4,4′,5- pentabromodiphenyl ether, Journal of Physical Chemistry A, 2015, 119(46): 6404-6411.

5) Haijie Cao, Dandan Han, Mingyue Li, Xin Li, Shiqing Zhang, Yunqiao Ding, Maoxia He*, Wenxing Wang, Theoretical study on the nitrate radical oxidation of methyl vinyl ether, Computational and Theoretical Chemistry, 2015, 1072: 72-78.

4) Haijie Cao, Maoxia He*, Dandan Han, Jing Li, Mingyue Li, Wenxing Wang, Side Yao, OH-Initiated oxidation mechanisms and kinetics of 2, 4, 4′-tribrominated diphenyl ether, Environmental Science & Technology, 2013, 47(15) : 8238-8247.

3) Haijie Cao, Maoxia He*, Dandan Han, Yanhui Sun, Sufang Zhao, Hongjuan Ma, Side Yao, Mechanistic and kinetic study on the reaction of 2,4-dibrominated diphenyl ether (BDE7) with OH radicals, Computational and Theoretical Chemistry, 2012, 983(1) : 31–37.

2) Haijie Cao, Maoxia He*, Dandan Han, Yanhui Sun, Ju Xie, Theoretical study on the mechanism and kinetics of the reaction of 2,2′,4,4′-tetrabrominated diphenyl ether (BDE47) with OH radicals, Atmospheric Environment, 2011, 45: 1525–1531.

1) Haijie Cao, Maoxia He*, Yanhui Sun, Dandan Han, Mechanical and kinetic studies of the formation of polyhalogenated dibenzo-p-dioxins from hydroxylated polybrominated diphenyl ethers and chlorinated derivatives, Journal of Physical Chemistry A, 2011, 115(46) : 13489-13497.