Vanadium Oxidation States and Structural Role in Aluminoborosilicate Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study.

Autor: Lu X; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Deng L; Department of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, United States., Saslow SA; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Liu H; Department of Chemical Engineering, Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Benmore CJ; Advanced Photon Source Facility, Argonne National Laboratory, Argonne, Illinois 60439, United States., Parruzot BP; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Reiser JT; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Kim SH; Department of Chemical Engineering, Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, United States., Ryan JV; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Vienna JD; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Du J; Department of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2021 Nov 11; Vol. 125 (44), pp. 12365-12377. Date of Electronic Publication: 2021 Nov 02.