5.能源清洁利用国家重点实验室开放课题，不同碳结构材料催化分解碘化氢分子模拟及实验研究，主持，结题。
6.中央高校基本科研业务费专项资金资助基金，金属元素及其化合物对煤焦异相还原NO 影响的分子模拟研究，主持，结题。
7.中央高校基本科研业务费专项资金资助基金，煤粉燃烧氮转化微观反应机理理论与实验研究，主持，结题。
另主持企业横向课题多项。
· ※ 部分论文
1. Xiuxia Zhang, Lianxin Xia, Bofan Lang, Jie Yu, Xinming Liu, Riyi Lin, Xinwei Wang.First principle investigation of nitric oxide reduction reaction for efficient ammonia synthesis over a Fe–Mo dual-atom electrocatalyst [J]. Journal of the Energy Institute, 2024, 113: 101535. （SCI二区）
2. Xiuxia Zhang, Lining Liu, Bofan Lang, Lianxin Xia, Riyi Lin, Xinwei Wang.ReaxFF molecular dynamics study of co-combustion of waste tires with petroleum coke gasification residue Combustion characteristics, gas evolution and micro mechanism [J]. Fuel,2023, 335: 127034. （SCI一区TOP）
3.Xiuxia Zhang, Lining Liu, Meihua Xiao, Bofan Lang, Lianxin Xia, Riyi Lin, Xinwei Wang. Insight into the thermal conversion of corn stalk gasification in supercritical water based on reactive molecular dynamics simulations [J]. Journal of the Energy Institute, 2023, 106: 101156.（SCI二区）
4. Zhang Xiuxia, Wu Huixi, Xie Miao, Lv Xiaoxue, Zhou Zhijun, Lin Riyi. A thorough theoretical exploration of the effect mechanism of Fe on HCN heterogeneous formation from nitrogen-containing char [J]. Fuel,2020,280:118662. （SCI一区TOP）
5.Zhang Xiuxia, Xie Miao, Wu Huixi, Lv Xiaoxue, Zhou Zhijun. DFT study of the effect of Ca on NO heterogeneous reduction by char [J]. Fuel,2020,265:116995. （SCI一区TOP）
6.Zhang Xiuxia, Wu Huixi, Xie Miao, Lv Xiaoxue, Zhou Zhijun, Lin Riyi. Wave function and molecular reactivity study of char with different edges and the chemisorption properties of nitric oxide [J]. Journal of the Energy Institute,2020,93(4):1519-1526. （SCI二区）
7.张秀霞,吕晓雪,肖美华,林日亿,周志军.典型烟煤热解机理的反应动力学模拟[J].燃料化学学报,2020,48(09):1035-1046.（EI检索）
8.张秀霞,吕晓雪,伍慧喜,谢苗,林日亿,周志军.钠对焦炭非均相还原NO的微观作用机理[J].燃料化学学报,2020,48(06):663-673.（EI检索）
9.张秀霞,谢苗,伍慧喜,吕晓雪,林日亿,周志军.钙对焦炭非均相还原NO的微观作用机理:DFT 研究[J].燃料化学学报,2020,48(02):163-171.（EI检索）
2023年德美高科创新创业优秀指导老师
