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D Upham C, Agarwal V, Khechfe A, Snodgrass ZR, Gordon MJ, Metiu H, McFarland EW. 2017. Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon. Science. 358:917–921.

Umezawa N., Janotti A., Rinke P., Chikyow T., Van de Walle C.G. 2008. Optimizing optical absorption of TiO2 by alloying with TiS2. Appl. Phys. Lett.. 92:41104.

Umezawa N., Shiraishi K., Chikyow T.. 2009. Stability of Si impurity in high-? oxides Microelectronic Engineering. 86:1780.

Umezawa N, Ye J. 2012. Role of complex defects in photocatalytic activities of nitrogen-doped anatase TiO(2).. Physical Chemistry Chemical Physics. 14:5924–34.

Umezawa N.. 2009. Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study. Appl. Phys. Lett.. 94:22903.

Umezawa N, Shiraishi K. 2012. Theoretical model for artificial structure modulation of HfO2/SiOx/Si interface by deposition of a dopant material. Applied Physics Letters. 100(9):092904.

Umezawa N, Shiraishi K. 2010. Origin of high solubility of silicon in La2O3: A first-principles study. Appl. Phys. Lett.. 97:202906.

Umezawa N., Sato M., Shiraishi K.. 2008. Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study. Appl. Phys. Lett.. 93:223104.

Umezawa N. 2010. Effects of capping HfO2 with multivalent oxides toward reducing the number of charged defects. Appl. Phys. Lett.. 96:162906.

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.