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1. Molecular oxygen generation from the reaction of water cations with oxygen atoms

   https://doi.org/10.1063/1.5102073  

   Fortenberry, Ryan C.; Trabelsi, Tarek; Westbrook, Brent R.; Del Rio, Weston A.; Francisco, Joseph S. (May 2019, The Journal of Chemical Physics)
2. Reactive Oxygen Species Production from Secondary Organic Aerosols: The Importance of Singlet Oxygen

   https://doi.org/10.1021/acs.est.9b01609  

   Manfrin, Alessandro; Nizkorodov, Sergey A.; Malecha, Kurtis T.; Getzinger, Gordon J.; McNeill, Kristopher; Borduas-Dedekind, Nadine (July 2019, Environmental Science & Technology)
3. Direct correlation of oxygen adsorption on platinum-electrolyte interfaces with the activity in the oxygen reduction reaction

   https://doi.org/10.1126/sciadv.abb1435  

   Wang, Shiyi; Zhu, Enbo; Huang, Yu; Heinz, Hendrik (June 2021, Science Advances)

   null (Ed.)

   The oxygen reduction reaction (ORR) on platinum catalysts is essential in fuel cells. Quantitative predictions of the relative ORR activity in experiments, in the range of 1 to 50 times, have remained challenging because of incomplete mechanistic understanding and lack of computational tools to account for the associated small differences in activation energies (<2.3 kilocalories per mole). Using highly accurate molecular dynamics (MD) simulation with the Interface force field (0.1 kilocalories per mole), we elucidated the mechanism of adsorption of molecular oxygen on regular and irregular platinum surfaces and nanostructures, followed by local density functional theory (DFT) calculations. The relative ORR activity is determined by oxygen access to platinum surfaces, which greatly depends on specific water adlayers, while electron transfer occurs at a similar slow rate. The MD methods facilitate quantitative predictions of relative ORR activities of any platinum nanostructures, are applicable to other catalysts, and enable effective MD/DFT approaches. 

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4. The Role of Oxygen in the Voltaic Pile

   https://doi.org/10.1021/acs.jchemed.1c00016  

   Clarke, Thomas B.; Glasscott, Matthew W.; Dick, Jeffrey E. (September 2021, Journal of Chemical Education)
5. Geometrically flexible synthetic manganese-oxygen and calcium-manganese-oxygen cubane clusters as reactive biomimics of the oxygen evolving complex of photosystem II.

   https://doi.org/10.1021/scimeetings.0c03947  

   Michael J. Zdilla, Shivaiah Vaddypally (March 2020, ACS Spring 2020 National Meeting and Expo)

   The oxygen evolving complex (OEC) of photosystem II is responsible for the four-electron oxidation of water to dioxygen in oxygenic photosynthetic organisms. These organisms use light to drive this thermodynamically uphill process to harvest high-energy electrons from water for cellular energy, generating O2 as a byproduct. While numerous details of the operation of the OEC are well understood, the molecular mechanism of O=O formation remains under debate. Model complex chemistry from our group will be presented wherein we have prepared cluster systems with little or no terminal multidentate ligation in order to generate geometrically flexible and reactive clusters. Two systems will be presented: a series of Ca-Mn-O hemicubane clusters with variable calcium content, and their electrocatalytic activity in activation of water in oxidation reactions, and a Mn cubane cluster with a pendant Mn=O moiety that evolves dioxygen from an oxidation state analagous to the turnover state of the natural system 

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