The Cao Group

Molecular Simulation & Solar Energy Conversion
2026
244.Liu,T.;Han,J.;Qin,H.;Lei,H.;Li,X.;Cao,R.*; Metalloporphyrins and Metallocorroles with Designed Second Sphere Structures for Catalytic Small Molecule Activation Reactions. Acc. Chem. Res., 2026, 59, 3359−3374.  
243.Chen,Y.;Pei,Z.;Dai,Y.;Yang,S.;Lei,H.;Wang,T.;Zhao,J.*;Huang,L.*;Cao,R.;Yan,Y.*;Zhang,W.*; Dynamic Heterovalent Dual-Cu Sites for O═O Cleavage in Electrocatalytic Oxygen Reduction Reaction. Angew. Chem. Int. Ed., 2026, 65, e9291507.  
242.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  
241.Shi,Z.-Q.;Ding,L.*;Yao,Z.-C.;Tang,T.;Cao,R.*;Hu,J.-S.*; Multiscale cathode design for high-temperature proton exchange membrane fuel cells. Chem. Soc. Rev., 2026, 55, 8035–8072.  
240.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.  
239.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.  
238.Song,L.;Yao,H.;Shi,M.;Zhao,J.*;Zhou,G.;Zheng,H.*;Zhang,H.*; Helical nitrogen-doped carbonaceous nanotubes with periodic surface curvature as robust anodes for lithium and sodium storage. J. Colloid Interface Sci., 728 (2027) 141788.  
237.Zhang,J.;Qu,S.;Zhao,B.;Li,Z.;Zheng,H.;Liang,Z.*;Zhao,J.*;Li,Y.*;Cao,R.*; Confinement-Anchoring PtCoNi Nanoparticles in the Grooves of Sulfur-Doped Chiral Helical Carbon Nanotubes for Improved Oxygen Reduction Reaction. ACS Catal., 2026,16,18373−18384.  
236.Bai,B.;Xu,X.;Liang,H.;Pan,Y.;Ling,S.;Zhang,X.-P.*;Cao,R.; Solvent Effects in Electrocatalytic CO2‑to-CO Conversion Mediated by Iron Tetraphenylporphyrins. Inorg. Chem., 2026, 65, 20437−20445.  
235.Lai,B.;Qin,H.;Lv,H.;Lu,Q.;Wang,Z.;Yin,J.;Lai,X.;Ding,H.;Lei,H.;Zhao,J.*;Zhang,W.;Cao,R.*; Electronic structure tuning of cobalt porphyrins via meso-site substituent engineering for selective CO2 electroreduction. Chem. Commun., 2026, 62, 18213–18217.  
234.Jing,Q.;Li,Q.;Liu,T.;Han,J.;Wang,Z.;Zhang,X.-P.*;Cao,R.*; Cobalt Porphyrin with a Fine-Tuned Molecular Pocket Bottleneck for Improved Oxygen Reduction Reaction. ACS Catal., 2026, 16, 16649−16655.  
233.Hua,R.;Ke,S.;Bai,B.;Huang,L.;Ma,Y.; Ma,M.;Wang,M.;Lei,H.;Zhang,W.;Cao,R.;Zhang,X.-P.;Liu,S.*; Zheng,H.* ; Electrochemically-Driven Geometric Restructuring of Bismuth on Helical Carbon Nanorods Boosts H2O2. Adv. Funct. Mater., 2026, 36, e77580.  
232.Zhou,X.;Wang,M.;Hua,R.;Si,X.;Song,L.;Ma,Y.;Zhang,W.*;Wei,L.*;Zheng,H.*; High-valence Mo-doped spinel oxides with abundant oxygen vacancies for efficient overall water splitting. Chem. Commun., 2026, 62, 15542–15545.  
231.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.  
230.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.  
229.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.  
228.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.  
227.Wu,N.;Yao,H.;Liu,W.;Zhang,W.*;Cao,R.*;Zheng,H.*;Zhang,H.*; Heteroatom-doped helical carbonaceous nanotubes with ultrafine SnO2 nanoparticles as an active anode for lithium-ion batteries. Chem. Commun., 2026, 62, 7589–7593.  
226.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.  
225.Wei,X.*;Cao,Y.;Ma,Y.;Cao,R.*; Carbon-based electrocatalysts for selective two-electron oxygen reduction. Wei et al. Catal, 2, 5 (2026).  
224.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.  
223.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.  
222.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.  
221.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.  
220.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.  
219.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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