DFT characterization of the optical and redox properties of natural pigments relevant to dye-sensitized solar cells von Qin, Changyong, Clark, Aurora E.

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Proton Transfer in Molten Lithium Carbonate: Mechanism and Kinetics by Density Functional Theory Calculations von Lei, Xueling, Huang, Kevin, Qin, Changyong

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First spectroscopic identification of pyrocarbonate for high CO2 flux membranes containing highly interconnected three dimensional ionic channels von Zhang, Lingling, Huang, Xinyu, Qin, Changyong, Brinkman, Kyle, Gong, Yunhui, Wang, Siwei, Huang, Kevin

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Beyond Exciton Theory:  A Time-Dependent DFT and Franck−Condon Study of Perylene Diimide and Its Chromophoric Dimer von Clark, Aurora E, Qin, Changyong, Li, Alexander D. Q

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Mechanisms of Water Oxidation Catalyzed by Ruthenium Diimine Complexes von Hurst, James K, Cape, Jonathan L, Clark, Aurora E, Das, Samir, Qin, Changyong

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Unraveling the role of structural water in bilayer V2O5 during Zn2+-intercalation: insights from DFT calculations von Wu, Tao, Zhu, Kaiyue, Qin, Changyong, Huang, Kevin

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CO Oxidation by Molecular and Atomic Oxygen on Ag(100): A Density Functional Theory Study von Lei, Xueling, Mbamalu, Godwin, Qin, Changyong

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A “rigid and flexible” multi-functional structure for solid-state Li-metal batteries von Rahmati, Ziba, Sun, Danyi, Wu, Nan, Qin, Changyong, Huang, Xinyu, Huang, Kevin

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DFT study of CO42- and CO52- relevant to oxygen reduction with the presence of molten carbonate in solid oxide fuel cells von Qin, Changyong, Gladney, Arianna

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Enhanced interfacial proton migration on BaZr(Y)O3 by molten carbonate: A first principles study von Lei, Xueling, Huang, Kevin, Qin, Changyong

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CI Study of CO adsorption on MgO(1 0 0) von Qin, Changyong

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Interaction of S, SH and H2S with Ag(100) von CHANGYONG QIN, WHITTEN, Jerry L

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Synthesis and Characterization of Impurity‐Free Li6/16Sr7/16Ta3/4Hf1/4O3 Perovskite as a Solid‐State Lithium‐Ion Conductor von Sun, Danyi, Wu, Nan, Qin, Changyong, White, Ralph, Huang, Kevin

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Density functional theory study of oxygen migration in molten carbonate von Lei, Xueling, Haines, Kahla, Huang, Kevin, Qin, Changyong

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Infiltrated Sr0.9Y0.1CoO2.5+δ nanoparticles as a cathode material for solid oxide fuel cells operated at 450–650 °C von Si, Fengzhan, Shao, Lin, Kang, Xiaomin, Qin, Changyong, Huang, Kevin, Fu, Xianzhu, Luo, Jingli

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Unraveling the role of structural water in bilayer V2O5 during Zn2+-intercalation: insights from DFT calculationsElectronic supplementary information (ESI) available. See DOI: 10.1... von Wu, Tao, Zhu, Kaiyue, Qin, Changyong, Huang, Kevin

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Unraveling the role of structural water in bilayer V 2 O 5 during Zn 2+ -intercalation: insights from DFT calculations von Wu, Tao, Zhu, Kaiyue, Qin, Changyong, Huang, Kevin

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Synthesis and Characterization of Impurity‐Free Li 6/16 Sr 7/16 Ta 3/4 Hf 1/4 O 3 Perovskite as a Solid‐State Lithium‐Ion Conductor von Sun, Danyi, Wu, Nan, Qin, Changyong, White, Ralph, Huang, Kevin

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DFT Study of Oxygen Dissociation in Molten Carbonate von Lei, Xueling, Haines, Kahla, Huang, Kevin, Qin, Changyong

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Energetics of proton transfer in alkali carbonates: a first principles calculation von Lei, Xueling, Qin, Changyong, Huang, Kevin

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