当前位置：
X-MOL 学术
›
J. Phys. Chem. Lett.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Observation of 9-Fold Coordinated Amorphous TiO2 at High Pressure.
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2019-12-26 , DOI: 10.1021/acs.jpclett.9b03378 Yu Shu 1 , Yoshio Kono 2 , Itaru Ohira 2 , Quanjun Li 3 , Rostislav Hrubiak 1 , Changyong Park 1 , Curtis Kenney-Benson 1 , Yanbin Wang 4 , Guoyin Shen 1
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2019-12-26 , DOI: 10.1021/acs.jpclett.9b03378 Yu Shu 1 , Yoshio Kono 2 , Itaru Ohira 2 , Quanjun Li 3 , Rostislav Hrubiak 1 , Changyong Park 1 , Curtis Kenney-Benson 1 , Yanbin Wang 4 , Guoyin Shen 1
Affiliation
|
Knowledge of the structure in amorphous dioxides is important in many fields of science and engineering. Here we report new experimental results of high-pressure polyamorphism in amorphous TiO2 (a-TiO2). Our data show that the Ti coordination number (CN) increases from 7.2 ± 0.3 at ∼16 GPa to 8.8 ± 0.3 at ∼70 GPa and finally reaches a plateau at 8.9 ± 0.3 at ≲86 GPa. The evolution of the structural changes under pressure is rationalized by the ratio (γ) of the ionic radius of Ti to that of O. It appears that the CN ≈ 9 plateau correlates with the two 9-fold coordinated polymorphs (cotunnite, Fe2P) with different γ values. This CN-γ relationship is compared with those of a-SiO2 and a-GeO2, displaying remarkably consistent behavior between CN and γ. The unified CN-γ relationship may be generally used to predict the compression behavior of amorphous AO2 compounds under extreme conditions.
中文翻译：
高压下9倍配位无定形TiO2的观察。
在许多科学和工程领域中，对无定形二氧化物结构的了解很重要。在这里，我们报告了非晶态TiO2（a-TiO2）中高压多态性的新实验结果。我们的数据表明，Ti配位数（CN）从〜16 GPa时的7.2±0.3增加到〜70 GPa时的8.8±0.3，最后在≲86GPa时达到8.9±0.3的平稳状态。Ti的离子半径与O的离子半径之比（γ）使结构在压力下的演化合理化。看来CN≈9平台与两个9倍配位多晶型物（共co石，Fe2P）相关。不同的γ值。将这种CN-γ关系与a-SiO2和a-GeO2的CN-γ关系进行了比较，显示了CN和γ之间的显着一致的行为。
更新日期：2019-12-27
中文翻译：
高压下9倍配位无定形TiO2的观察。
在许多科学和工程领域中，对无定形二氧化物结构的了解很重要。在这里，我们报告了非晶态TiO2（a-TiO2）中高压多态性的新实验结果。我们的数据表明，Ti配位数（CN）从〜16 GPa时的7.2±0.3增加到〜70 GPa时的8.8±0.3，最后在≲86GPa时达到8.9±0.3的平稳状态。Ti的离子半径与O的离子半径之比（γ）使结构在压力下的演化合理化。看来CN≈9平台与两个9倍配位多晶型物（共co石，Fe2P）相关。不同的γ值。将这种CN-γ关系与a-SiO2和a-GeO2的CN-γ关系进行了比较，显示了CN和γ之间的显着一致的行为。
京公网安备 11010802027423号