科学研究：从事多尺度反应动力学机制及光电催化剂设计等相关研究。一方面，围绕金属表面氧化初期过程，采用多维模拟手段展现金属氧化反应的动态演变过程，构建实验观测与理论模拟之间的桥梁。另一方面，围绕二电子水氧化高附加值产品生成反应，从原子层面提出金属氧化物晶面调控生长动力学机制，开发高效光电催化剂材料，提出新能源催化剂反应动力学以及可控制备机理。国际期刊上发表SCI收录论文50余篇，其中一作及通讯作者发表论文30余篇；主持国家自然科学基金项目1项，主持省部级项目3项，主研国家自然科学基金和省部级项目各1向，参研横向项目3项。
教研教改：本人于2017年7月在重庆科技大学化学化工学院从事教学科研工作，承担本科《化工分离过程》、《化工过程分析与合成》、《化工仪表及自动化》和《精细化工工艺学和产品学》等课程教学，同时指导毕业设计以及生产实训等实践教学。本人于2025年获重庆市化工学会优秀教师奖；2019年、2023年获得“重庆市微课比赛”市级三等奖和二等奖；指导学生参加“全国化工设计大赛”多次获全国三等奖、西南赛区二等奖；主持市级教改两项，校级教改三项；指导学生完成校级科技创新项目两项；指导本科毕业生获得市级优秀毕业设计一项，校级优秀毕业设计两项，指导研究创新创业比赛三等奖一项。
目前在研科研课题：
1. 国家自然科学基金(21903009): 金属铜初期氧化过程动力学机制的多尺度理论研究，主持。项目起止年月：2020年01月至 2022年 12月。
2. 重庆市教委科学技术研究项目（KJQN202101517）：BiVO4半导体纳米材料晶面协同催化降解VOCs的作用机制，主持。项目起止年月：2021年9月至 2024年 9月。
3. 重庆市留学回国创新项目（启动）：金属铁氧化腐蚀动力学机制的多尺度理论研究，主持。项目起止年月：2021年01月至 2023年 12月。
4. 重庆市教委科学技术研究项目（KJQN201801525）：微-介尺度探究金属酸根离子抑制光阳极材料自腐蚀机制，主持。项目起止年月：2018年09月至 2020年 9月。
5. 重庆市博士后特别资助项目(2025CQBSHTB3064)：金属铜表面腐蚀初期动态演化机制与跨尺度构效关系理论研究，2026.06-2028.05, 5万元，在研，主持。
已发表论文：
一作及通讯论文：
（1） D. Lai, S. Xiao, S. Wang, W. Guo*, X. Shen, Y. Zhou*, X. Lian*(连欣); Electrochemical Oxidation Strategy for Integrated CO2 Capture and Conversion. Langmuir, 2026; 42 (27): 19687–19696.
（2） S. Xiao, W. Guo*, Y. Pang, X. Shen, X. Wang, Y. Zhou*, X. Lian*(连欣); Enhanced carbonate capture affinity of copper-doped bismuth niobateenables efficient anodic hydrogen peroxide production. Journal of Colloid and Interface Science, 724 (2026) 141228
（3） Guo, W., Tang, X., Xiao, S., Shen, X., Liao, H., Peng, J., Lian X. *（连欣）， Theoretical study of bimetallic catalysts for NO reduction to ammonia on defective graphene. Chem. Phys. 2025, 113021.
（4） Liao, H., Peng, J., Ruan, J., Lian X. *（连欣），Guo, W※, Electrochemical CO2 reduction over BN-supported transition metal trimers: a DFT study. Chem. Phys. 2026, 113091.
（5） Li M., Shen X,, Yang L., Lai D., Zhou Y., Guo W.,* Lian X. *（连欣）， Oxygen-Deficient Bi2Mo2O9/BiVO4 Composite Photoanode for Efficient Photoelectrochemical Hydrogen Peroxide Synthesis via Two-Electron Water Oxidation. ACS Sustainable Chem. Eng. 2025, 13, 19097−19107.
（6） Guo, W., He, Y., Tang, X., Wang, S., Li, M., Gao, G., Xiao, P. ; Lian, X. *（连欣）, Insights into electrochemically anodic H2O2 synthesis on titanium dioxide in carbonate-based electrolytes. Appl. Surf. Sci. 2025, 691, 162669.
（7） Guo, W., Tang, X., Liao, H., Peng J., Lian, X. *（连欣）, Theoretical screening of single-metal atom deposited on 2D BC3N2 monolayers for NO electrocatalytic reduction to NH3. Appl. Surf. Sci. 2025, 690, 162605.
（8） Guo, W., Liao, H., Zeng, W., Tang, X., Lian, X. *（连欣）, Xiao, P., Gao, G., 3d transition metal anchored boron nitride edge for CO2 reduction reaction: A DFT study. Chem. Phys. 2025, 592, 112616.
（9） Guo, W., Li, M., Wang, S., He, Y., Zhou, Y. *, Lian, X. *（连欣）, Photoelectrochemical synthesis of hydrogen peroxide from saline water via the two-electron water oxidation reaction. Langmuir 2024, 40, 20186-20194.
（10） Tang, X., Liao, H., Zeng, W., Guo, W. *, Lian, X*（连欣）, Computational screening of single-atom catalysts supported on Al12N12 nanocage for nitrogen reduction reaction. Mater. Today Commun. 2024, 40, 109509.
（11） Lian, X. （连欣）, Zeng, W., Tang, X., Liao, H., Guo, W. *, Zhang, Y., Gao, G., H2O2 decomposition on X12Y12 (X = B, Al, Ga and Y = N, P) nanocage catalysts: a density functional theory study. React. Kinet. Mech. Catal. 2024, 137, 1939-1949.
（12） Lian, X.（连欣）, Tang, X., Liao, H., Guo, W. *, Zhang, Y., Gao, G., Theoretical screening of double‑atom metals anchored on defective boron nitride for N2 reduction. React. Kinet. Mech. Catal. 2024, 137, 3241-3251.
（13） Guo, W., Wang, S., Xie, Y., Fang, C. *, Liu, L., Lou, Q. *, Lian, X. *（连欣）, Henkelman, G., Hydrogen Peroxide Synthesis via Electrocatalytic Water Oxidation on sp3 and sp2 Carbon Materials Mediated by Carbonates and Bicarbonates. ACS Sustainable Chem. Eng. 2023, 11, 12114-12122.
（14） Zeng, W., Tang, X., Duan, H., Guo, W. *, Lian, X. *（连欣）, Regulating catalytic activity of C2N for the CO oxidation by N2O via deposition of metallic elements: A density functional theory study. Mater. Today Commun. 2023, 36, 106629.
（15） Duan, H., Zeng, W., Tang, X., Yu, B., Chen, S., Lian, X. *（连欣）, Theoretical investigation for the reaction of CO oxidation by N2O on Fe6M (M= Fe, Co, Ni, Mn) clusters. React. Kinet. Mech. Catal. 2022, 135, 3021-3030.
（16） Guo, W., Xie, Y., Liu, Y., Shang, S., Lian, X. *（连欣）, Effects of Sb2O3 polymorphism on the performances for electrocatalytic H2O2 production via the two-electron water oxidation reaction. Appl. Surf. Sci. 2022, 606, 155006.
（17） Lian, X.（连欣）, Duan, H., Zeng, W., Guo, W*, Theoretical insight into the reaction mechanism of ammonia dehydrogenation on iron-based clusters. Mater. Today Commun. 2022, 32, 104088.
（18） Guo, W., Xie, Y., Tang, S., Yu, B., Lian, X. *（连欣）, Henkelman, G., Liu, X*. H2O2 formation mechanisms on the (112) and (310) facets of SnO2 via water oxidation reaction with the participation of bicarbonate: DFT and experimental investigations. Appl. Surf. Sci. 2022, 596, 153634.
（19） Lian, X.（连欣）, Duan, H., Zeng, W., Yu, B., Guo, W*., Lou, Q. * Kinetics investigation of the oxygen evolution reaction on the characteristic facets of γ-Cu3V2O8. Mol. Catal. 2022, 528, 112493.
（20） Lian, X.（连欣）, Tian, S., Wang, S., Lin, Y., Liu, Y., Li, Y., Guo, W*, Influence mechanisms of the surface morphologies on the elementary diffusion kinetics on the Cu (110) surface. Comput. Mater. Sci. 2021, 188,110234.
（21） Lian, X.（连欣）, Guo, W. *, He, B., Yu, B., Chen, S., Qin, D., Chen, F, Insights of the mechanisms for CO oxidation by N2O over M@Cu12 (M=Cu, Pt, Ru, Pd, Rh) core-shell clusters. Mol. Catal. 2020, 494,111126.
（22） Guo, W., Wang, Y., Lian, X. *（连欣）, Nie, Y., Tian, S., Wang, S., Henkelman, G. Insights into the multiple effects of oxygen vacancies on CuWO4 for photoelectrochemical water oxidation. Catal. Sci. Technol. 2020, 7344-7351.
（23） Guo, W., Lian, X. *（连欣）, Nie, Y., Hu, M., Wu, L., Gao, H., Wang, T., Facile growth of β-Cu2V2O7 thin films and characterization for photoelectrochemical water oxidation. Mater. Lett. 2020, 258,126842.
（24） Guo, W., Lian, X. *（连欣）, Kinetics mechanism insights into the oxygen evolution reaction on the (110) and (022) crystal facets of β-Cu2V2O7. Catal. Sci. Technol. 2020, 10 (15), 5129-5135.
（25） Lian, X.（连欣）, Guo, W. *, He, B., Lin, Y., Xu, P., Yi, H., Chen, S., Comparison of O–H and C–H activation of methanol on Ni-based cluster: a DFT investigation. Mol. Phys. 2020, 118, 12, e1685689.
（26） Lian, X.（连欣）, Guo, W. *, Nie, Y., Xu, P., Yi, H., He, B., Chen, S., A density functional study of water dissociation on small cationic, neutral, and anionic Ni-based alloy clusters. Chem. Phys. 2019, 521, 44–50.
（27） Lian, X.（连欣）, P. Xiao, R. Liu*, and G. Henkelman*, Calculations of oxygen adsorption-induced surface reconstruction and oxide formation on Cu(100). Chem. Mater. 2017, 29, 1472-1484.
（28） Lian, X.（连欣）, P. Xiao, R. Liu*, and G. Henkelman*, Kinetic barriers of the formation of oxygen chemisorbed (2×1)-O reconstruction on Cu(110) surface. J. Chem. Phys. 2017, 146,111101.
（29） Lian, X.（连欣）, P. Xiao, S.-C. Yang, R. Liu*, and G. Henkelman*, Calculations of Oxide Formation on Low-Index Cu Surfaces. J. Chem. Phys. 2016, 145, 044711.
（30） Lian, X.（连欣）, W. Guo, F. Liu, P. Xiao, and Y. Zhang*, W.Q. Tian, DFT studies on Pt3M (M = Pt, Ni, Mo, Ru, Pd, Rh) clusters for CO oxidation. Comput. Mater. Sci 2015, 96, 237-245.
（31） Lian, X.（连欣）, W. Guo, J. Shu, X. Zhang, Z. Liu, Y. Zhang, R. Liu*, A density functional theory study of the water–gas shift reaction promoted by Pt based catalysts. Theor. Chem. Acc. 2015, 134, 19.
（32） Lian, X.（连欣）, W.Q. Tian, W. Guo, F. Liu, P. Xiao, and Y. Zhang*, DFT study of Pt7−xRux (x = 0, 1, 2, 3) clusters and their interactions with CO. Eur Phys J D, 2014, 68, 72.
