Kim, Hyunah Park, Jimin Park, Inchul Jin, Kyoungsuk Jerng, Sung Eun Kim, Sun Hee Nam, Ki Tae Kang, Kisuk 2024-01-20T06:30:16Z 2024-01-20T06:30:16Z 2021-09-05 2015-09 2041-1723 https://pubs.kist.re.kr/handle/201004/125070 The development of efficient and stable water oxidation catalysts is necessary for the realization of practically viable water-splitting systems. Although extensive studies have focused on the metal-oxide catalysts, the effect of metal coordination on the catalytic ability remains still elusive. Here we select four cobalt-based phosphate catalysts with various cobalt-and phosphate-group coordination as a platform to better understand the catalytic activity of cobalt-based materials. Although they exhibit various catalytic activities and stabilities during water oxidation, Na2CoP2O7 with distorted cobalt tetrahedral geometry shows high activity comparable to that of amorphous cobalt phosphate under neutral conditions, along with high structural stability. First-principles calculations suggest that the surface reorganization by the pyrophosphate ligand induces a highly distorted tetrahedral geometry, where water molecules can favourably bind, resulting in a low overpotential (similar to 0.42 eV). Our findings emphasize the importance of local cobalt coordination in the catalysis and suggest the possible effect of polyanions on the water oxidation chemistry. English NATURE PUBLISHING GROUP OXYGEN EVOLUTION REACTION TRANSITION-METAL OXIDES PHOTOSYSTEM-II PHOTOELECTROCHEMICAL CELLS ELECTROCHEMICAL OXIDATION LITHIUM BATTERIES EVOLVING CATALYST NEUTRAL PH ELECTROCATALYSTS COMPLEXES Coordination tuning of cobalt phosphates towards efficient water oxidation catalyst Article 10.1038/ncomms9253 1 NATURE COMMUNICATIONS, v.6 NATURE COMMUNICATIONS 6 scie scopus 000363017500024 2-s2.0-84941711770 Multidisciplinary Sciences Science & Technology - Other Topics Article OXYGEN EVOLUTION REACTION TRANSITION-METAL OXIDES PHOTOSYSTEM-II PHOTOELECTROCHEMICAL CELLS ELECTROCHEMICAL OXIDATION LITHIUM BATTERIES EVOLVING CATALYST NEUTRAL PH ELECTROCATALYSTS COMPLEXES Chemical sciences Catalysis Materials science