The Cao Group

Molecular Simulation & Solar Energy Conversion
2026
232.Lv,H.;Feng,J.;Qin,H.;Zhao,J.;Zhang,W.;Yang,P.;Wang,B.*;Apfel,U.*;Cao,R.*; A Trade-Off Between Thermodynamics and Kinetics of O2 Binding for Highly Active and Selective Electrocatalytic Oxygen Reduction Reaction. Angew. Chem. Int. Ed., 2026,65,e7201620  
231.Yang,S.;Liang,H.;Yue,K.;Liu,X.;Yin,Z.;Qin,H.;Li,S.;Fan,Y.;Zheng,H.;Zhang,X.-P.*;Cao,R.;Yan,Y.*;Wang,S.*;Zhang,w.*; Discovering the pH-independent Oxygen–Oxygen Formation via Direct Mn-oxo Coupling. Angew. Chem. Int. Ed. 2026, 65 (12), e24172.  
230.Qin,H.;Wang,Y.;Liu,T.;Xu,Y.;Lei,H.;Li,X.;Zhang,W.;Fukuzumi,S.*;Nam,W.*;Cao,R.*; Thermodynamic vs Kinetic Control of the Oxygen Reduction Reaction with Iron and Cobalt Porphyrin Atropisomers. J. Am. Chem. Soc., 2026, 148, 933−943.  
229.Hua,R.;Li,Q.;Ma,Y.;Zhang,X.-P.;Zhang,W.;Cao,R.;Zheng,H.*; Triggering the Inert Basal Planes of Curved MoS2 by Rational Strain Engineering of Single-Atom Pt toward Enhanced Hydrogen Evolution Reaction. ACS Appl. Mater. Interfaces, 2026,18,26157–26167.  
228.Liu,J.;Li,Q.;Jin,X.;Wu,N.;Wang,L.;Mei,B.;Lei,H.*;Zhang,X.-P.*;Peng,H.*;Apfel,U.;Cao,R.*; Electropolymerized Cobalt Porphyrin Films with Fine-Tuned Molecular Hydrophobicity for Boosted Electrocatalytic CO 2 Reduction. ACS Catal. 2026,16,9214−922.  
227.Cao,Y.;Cao,Y.;Li,Z.;Qu,S.;Fan,X.;Wei,X.*;Cao,R.*; Nitrogen-rich mesoporous carbon nanospheres with atomic Fe–N4 sites for efficient oxygen reduction. J. Mater. Chem. A, 2026, 14, 22300-22308.  
226.Wang,S.;Liu,C.;Jin,X.;Zhang,Y.;Zhao,J.;Zhang,W.;Zhang,X.*;Cao,R.*; Li,X.*; Electro-driven Dioxygenation of Indole by Iron Porphyrin with Faradaic Efficiency Exceeding 104%. ACS Catal., 2026, 16, 6234−6240.  
225.Zhu,X.;Mou,Y.;Liu,T.;Li,X.;Liang,Z.*;Cao,R.*; Enhancing the electrocatalytic oxygen reduction reaction via pyridine in cobalt porphyrins. Inorg. Chem. Commun., 186 (2026) 116298.  
224.Wei,X.*;Cao,Y.;Ma,Y.;Cao,R.*; Carbon-based electrocatalysts for selective two-electron oxygen reduction. Wei et al. Catal, 2, 5 (2026).  
223.Wang,T.;Liu,X.;Pei,Z.;Xu,Y.;Lv,H.*;Zhao,J.*;Cao,R.;Zhang,W.*; Coordination Tuning in Cobalt Selenites for Electrocatalytic Water Oxidation. J. Phys. Chem. C, 2026, 130, 1877−1887.  
222.Lei,H.;Zhao,J.;Cao,R.*; Efficient and stable CO2 electroreduction to methanol in acidic media via microenvironment engineering. Sci. China Chem., 2026 69(1): 1–2.  
221.Li,Z.;Zhang,J.;Liang,Z.*;Cao,R.*; Pt nanoparticles loaded on helical chiral carbon nanotubes for the efficient oxygen reduction reaction. Chem. Commun., 2026, 62, 3008–3012.  
220.Qin,H.;Wang,B.;Pan,Y.;Wei,X.*;Cao,R.*; Mechanism-Guided Design and Synthesis of Co/Fe Dual-Sites for Highly Efficient and Selective Oxygen Reduction Reaction. Adv. Funct. Mater. 2026, 36, e23551.  
219.Yao,H.;Wu,N.;Song,L.;Zhang,W.*;Cao,R.*;Zheng,H.*;Zhang,H.*; Constructing 1D carbon hybrids with spatially confined Co3O4 nanoparticles for advanced lithium-ion battery anodes. Nanoscale, 2026, 18, 718–722.  
218.Qu,S.;Cao,Y.;Zhang,J.;Ma,P.;Liang,Z.*;Cao,R.*; Sulfur-doped cobalt-nitrogen-carbon materialsfor efficient oxygen electrocatalysis. Sustain. Energy Fuels, 2026, 10, 285–293.  
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