姓名：熊辉辉

性别：男                        

学位/职称：博士/副教授/硕导                          

出生年月： 1985 年 02 月

学科专业：冶金工程/材料科学与工程

联系方式：xionghui8888@126.com

研究方向：计算材料学与计算凝聚态物理

（1）二维材料的气敏性能；

（2）异质结界面；

（3）高温合金氧化

主持或参与科研项目：

[1] 国家自然科学基金委员会, 地区科学基金项目,类卟啉结构二维双金属酞菁的VOCs气敏性能与调控机制, 2022-01-01 至 2025-12-31，32万，主持，在研；

[2] 江西省自然科学基金项目，高洁净钢中纳米尺度钇基稀土夹杂物演变规律及其细化组织的基础研究, 2018-01-01 至 2020-12-31 ，6万，主持，已结题；

[3] 江西省教育厅项目，微合金钢中碳氮化物析出及其细化组织的第一性原理研究，201901-01 至 2020-12-31 ，3万，主持 ，已结题；

[4] 国家自然科学基金委员会, 地区科学基金项目, 52161001, 多元液态金属热物理性质的深度神经网络模拟, 2022-01-01 至 2025-12-31, 35万元, 在研, 参与；

[5] 国家自然科学基金委员会, 地区科学基金项目, 21865012, 替位型掺杂三氧化钨载铂催化剂的设计合成及其电催化性能研究, 2019-01-01 至 2022-12-31, 38万元, 已结题, 参与；

代表性论文和专著：

[1] HuiHui Xiong*, Baixiong Liu, Haihui Zhang, Theoretical insight into two-dimensional M-Pc monolayer as an excellent material for formaldehyde and phosgene sensing, Apply Surface Science, 2021, 543:148805-148815.

[2] C. Wang, R. Xue, G. Xie, H. Xiong*, Two-dimensional FePc and MnPc monolayers as promising materials for SF₆ decomposition gases detection: Insights from DFT calculations, Apply Surface Science, 2023, 608: 155119-155133.

[3] Huihui Xiong*, Haihui Zhang, Liyong Chen，Insight into the oxidation mechanism of the intermetallic compound NbAl₃: A first-principles study, Applied Surface Science, 2019, 498: 143858-143565.

[4] M. Yang, H. Xiong*, B. Zhang, Z. Nie, Density functional theory study of rare earth Y, Ce and La-catalyzed oxidation mechanism of Ta(100) and Ta(110) surfaces, Applied Surface Science, 2022, 599:154061-154070.

[5] H. Zhang, Y. Ma, H. Xiong*, G. Deng, L. Yang, Z. Nie, Highly sensitive and selective sensing-performance of 2D Co-decorated phthalocyanine toward NH₃, SO₂, H₂S and CO molecules, Surfaces and Interfaces, 2023, 36:102641-102653.

[6] Huihui Xiong*, Guangjun Chen, Baixiong Liu*. Revealing the adhesion strength and electronic properties of Ti₃SiC₂/Cu interface in Ti₃SiC₂ reinforced Cu-based composite by a first-principles study, Surfaces and Interfaces, 2021, 27: 101467-101477.

[7] Huihui Xiong*, Haihui Zhang, Lei Gan, A new bifunctional C₃N nanosheet of NO₂, SO₂ gas sensor and CO₂ separation: A first-principles study, Physica E: Low-dimensional Systems and Nanostructures, 2021, 126: 114463-114470.

[8] Xiong H.H*, Zhang H.H. CO₂ capture and separation on the penta-BN₂ monolayer with the assistance of charge/electric field, Journal of Materials Science, 2021, 56: 4341-4355.

[9] H.H. Xiong*, H.N Zhang, J.H. Dong, Adhesion strength and stability of TiB₂/TiC interface in composite coatings by first principles calculation, Computational Materials Science, 2017, 127: 244-250.

[10] Huihui Xiong, Jianxin Xie, Jianhong Dong*, Insight into rare earth yttrium and nitrogen co-decorated graphene as a promising material for NO_x detection, Physics Letters A, 2020, 384: 126910-126918.

[11] Hui-hui Xiong*, Heng-hua Zhang, Hui-ning Zhang, Yang Zhou, Effects of alloying elements X (X = Zr, V, Cr, Mn, Mo, W, Nb, Y) on the ferrite/TiC heterogeneous nucleation interface: First-principles study, Journal of Iron and Steel Research, International, 2017, 24 (3):328-334.

[12] Huihui Xiong*, Lei Gan, Mingzhou Li, Improving the oxidation resistance of WSi₂ by boron doping: A DFT study, Materials Today Communications, 2020, 25: 101312-101319.

[13] Hui-hui Xiong*, Lei Gan, Zhi-Fang Tong, Heng-Hua Zhang, Yang Zhou, Investigation of iron adsorption on composite transition metal carbides in steel by first-principles calculation, Journal of Physics and Chemistry of Solids, 2018, 116:30-36.

[14] 熊辉辉. 钢中析出相的界面行为,冶金工业出版社, 2022年10月出版