所属：Innovator and Inventor Development Platform, Tokyo Institute of Technology

概要： We have performed density functional theory calculations to predict the electronic structure of S-doped BaSnO3 (BSO) and complex p-type oxides, which are of great technological interest for energy conversion. The band gap predicted from the electronic structure calculation should provide a good performance of S-doped BSO for visible light absorption, due to volume expansion and changes of strength in Ba-O chemical bonding that shifts the DOS peaks deeper inside the valence band. We have also evaluated the electronic charge distribution inside LSCO films grown on La-doped BSO substrates and contribution of interface depletion layer to the enhanced electrochemical activity of LSCO. The latter appears to be caused by the large acceptor doping in the LSCO layers that imparts holes throughout the entire heterostructure, due to a favorable depletion widths that allows facile charge transfer across the electrolyte-film interface

論文掲載,発表実績:
（学術雑誌掲載論文）

• J. D. Baniecki, D. Ricinschi et al: manuscripts in preparation.

（国際会議会議録掲載論文）

• Atomic structure properties, interface energetics, and oxygen evolution electrocatalysis activity of perovskite structure oxide electrodes with nanoscopic active layers, J. D. Baniecki, D. Ricinschi et al, Collaborative Conference on Materials Research, CCMR 2017, Jeju Island, Korea (June 2017).
• In situ photoemission and spectroscopic ellipsometry study of the band alignment and electronic structure of epitaxially strained d and s band composite oxide nanostructures, J. D. Baniecki, D. Ricinschi et al, Energy, Materials and Nanotechnology conference, EMN 2018 Barcelona, Spain, (September 2017).

（国内研究会等発表論文）

• Role of Interface Energetics and Atomic Structure on the Oxygen Evolution Activity of Nanostructured Perovskite Oxide Electrodes with Atomically Thin Active layers, J. D. Baniecki, D. Ricinschi et al, Enegy, Nano S&T-2017, Fukuoka, Japan, (October 2017).