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• Journal article
  Kwon S, Stoerzinger KA, Rao R, Qiao L, Goddard III WA, Shao-Horn Yet al., 2024,

  Facet-Dependent Oxygen Evolution Reaction Activity of IrO₂ from Quantum Mechanics and Experiments

  , JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 146, Pages: 11719-11725, ISSN: 0002-7863
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• Journal article
  Liang C, Katayama Y, Tao Y, Morinaga A, Moss B, Celorrio V, Ryan M, Stephens IEL, Durrant JR, Rao RRet al., 2024,

  Role of Electrolyte pH on Water Oxidation for Iridium Oxides

  , JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 146, Pages: 8928-8938, ISSN: 0002-7863
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• Journal article
  Moss B, Svane KL, Nieto-Castro D, Rao RR, Scott SB, Tseng C, Sachs M, Pennathur A, Liang C, Oldham LI, Mazzolini E, Jurado L, Sankar G, Parry S, Celorrio V, Dawlaty JM, Rossmeisl J, Galan-Mascaros JR, Stephens IEL, Durrant JRet al., 2024,

  Cooperative Effects Drive Water Oxidation Catalysis in Cobalt Electrocatalysts through the Destabilization of Intermediates

  , JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 146, Pages: 8915-8927, ISSN: 0002-7863
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• Journal article
  Guo C, Benzie P, Hu S, de Nijs B, Miele E, Elliott E, Arul R, Benjamin H, Dziechciarczyk G, Rao RR, Ryan MP, Baumberg JJet al., 2024,

  Extensive photochemical restructuring of molecule-metal surfaces under room light

  , NATURE COMMUNICATIONS, Vol: 15
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• Journal article
  Murawski J, Scott SB, Rao R, Rigg K, Zalitis C, Stevens J, Sharman J, Hinds G, Stephens IELet al., 2024,

  Benchmarking Stability of Iridium Oxide in Acidic Media under Oxygen Evolution Conditions: A Review: Part I Probing degradation of iridium-based oxide catalysts

  , JOHNSON MATTHEY TECHNOLOGY REVIEW, Vol: 68, Pages: 121-146, ISSN: 2056-5135
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• Journal article
  Murawski J, Scott SB, Rao R, Rigg K, Zalitis C, Stevens J, Sharman J, Hinds G, Stephens IELet al., 2024,

  Benchmarking Stability of Iridium Oxide in Acidic Media under Oxygen Evolution Conditions: A Review: Part II Investigation of catalyst activity and stability via short term testing

  , JOHNSON MATTHEY TECHNOLOGY REVIEW, Vol: 68, Pages: 147-160, ISSN: 2056-5135
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• Book chapter
  Rao RR, van den Bosch ICG, Baeumer C, 2023,

  Operando X-ray characterization of interfacial charge transfer and structural rearrangements

  , Encyclopedia of Solid Liquid Interfaces

  Key technologies in energy conversion and storage, sensing and chemical synthesis rely on a detailed knowledge about charge transfer processes at electrified solid–liquid interfaces. However, these interfaces continuously evolve as a function of applied potentials, ionic concentrations and time. We therefore need to characterize chemical composition, atomic arrangement and electronic structure of both the liquid and the solid side of the interface under operating conditions. In this chapter, we discuss the state-of-the-art X-ray based spectroscopy and diffraction approaches for such “operando” characterization. We highlight recent examples from literature and demonstrate how X-ray absorption spectroscopy, X-ray photoelectron spectroscopy and surface X-ray diffraction can reveal the required interface-sensitive information.

  • Abstract
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  • Citations: 1
• Journal article
  Luo H, Yukuhiro VY, Fernandez PS, Feng J, Thompson P, Rao RR, Cai R, Favero S, Haigh SJ, Durrant JR, Stephens IEL, Titirici M-Met al., 2022,

  Role of Ni in PtNi bimetallic electrocatalysts for hydrogen and value-added chemicals coproduction via glycerol electrooxidation

  , ACS Catalysis, Vol: 12, Pages: 14492-14506, ISSN: 2155-5435

  Pt-based bimetallic electrocatalysts are promising candidates to convert surplus glycerol from the biodiesel industry to value-added chemicals and coproduce hydrogen. It is expected that the nature and content of the elements in the bimetallic catalyst can not only affect the reaction kinetics but also influence the product selectivity, providing a way to increase the yield of the desired products. Hence, in this work, we investigate the electrochemical oxidation of glycerol on a series of PtNi nanoparticles with increasing Ni content using a combination of physicochemical structural analysis, electrochemical measurements, operando spectroscopic techniques, and advanced product characterizations. With a moderate Ni content and a homogenously alloyed bimetallic Pt–Ni structure, the PtNi2 catalyst displayed the highest reaction activity among all materials studied in this work. In situ FTIR data show that PtNi2 can activate the glycerol molecule at a more negative potential (0.4 VRHE) than the other PtNi catalysts. In addition, its surface can effectively catalyze the complete C–C bond cleavage, resulting in lower CO poisoning and higher stability. Operando X-ray absorption spectroscopy and UV–vis spectroscopy suggest that glycerol adsorbs strongly onto surface Ni(OH)x sites, preventing their oxidation and activation of oxygen or hydroxyl from water. As such, we propose that the role of Ni in PtNi toward glycerol oxidation is to tailor the electronic structure of the pure Pt sites rather than a bifunctional mechanism. Our experiments provide guidance for the development of bimetallic catalysts toward highly efficient, selective, and stable glycerol oxidation reactions.

  • Abstract
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• Journal article
  Peng J, Schwalbe-Koda D, Akkiraju K, Xie T, Giordano L, Yu Y, Eom CJ, Lunger JR, Zheng DJ, Rao RR, Muy S, Grossman JC, Reuter K, Gomez-Bombarelli R, Shao-Horn Yet al., 2022,

  Human- and machine-centred designs of molecules and materials for sustainability and decarbonization

  , NATURE REVIEWS MATERIALS, Vol: 7, Pages: 991-1009, ISSN: 2058-8437
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  • Citations: 91
• Journal article
  Rao RR, Mesa CA, Durrant JR, 2022,

  Better together

  , NATURE CATALYSIS, Vol: 5, Pages: 844-845, ISSN: 2520-1158
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