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タイトル: | Controlling oxygen coordination and valence of network forming cations |
著者: | Aoyagi, Takuya Kohara, Shinji Naito, Takashi Onodera, Yohei https://orcid.org/0000-0002-3080-6991 (unconfirmed) Kodama, Motomune Onodera, Taigo Takamatsu, Daiko Tahara, Shuta Sakata, Osami Miyake, Tatsuya Suzuya, Kentaro Ohara, Koji Usuki, Takeshi Hayashi, Yamato Takizawa, Hirotsugu |
著者名の別形: | 青柳, 拓也 小原, 真司 内藤, 孝 小野寺, 陽平 児玉, 一宗 小野寺, 大剛 高松, 大郊 田原, 周太 坂田, 修身 三宅, 竜也 鈴谷, 賢太郎 尾原, 幸治 臼杵, 毅 林, 大和 滝沢, 博胤 |
キーワード: | Atomistic models Structure of solids and liquids |
発行日: | 28-Apr-2020 |
出版者: | Island Press |
誌名: | Scientific Reports |
巻: | 10 |
論文番号: | 7178 |
抄録: | Understanding the structure-property relationship of glass material is still challenging due to a lack of periodicity in disordered materials. Here, we report the properties and atomic structure of vanadium phosphate glasses characterized by reverse Monte Carlo modelling based on neutron/synchrotron X-ray diffraction and EXAFS data, supplemented by Raman and NMR spectroscopy. In vanadium-rich glass, the water durability, thermal stability and hardness improve as the amount of P2O5 increases, and the network former of the glass changes from VOx polyhedra to the interplay between VOx polyhedra and PO4 tetrahedra. We find for the first time that the coordination number of oxygen atoms around a V4+ is four, which is an unusually small coordination number, and plays an important role for water durability, thermal stability and hardness. Furthermore, we show that the similarity between glass and crystal beyond the nearest neighbour distance is important for glass properties. These results demonstrate that controlling the oxygen coordination and valence of the network-forming cation is necessary for designing the properties of glass. |
著作権等: | © The Author(s) 2020. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
URI: | http://hdl.handle.net/2433/255225 |
DOI(出版社版): | 10.1038/s41598-020-63786-y |
PubMed ID: | 32346008 |
出現コレクション: | 学術雑誌掲載論文等 |
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