Compositional tuning of structural stability of lithiated cubic titania via a vacancy-filling mechanism under high pressure

• Published in: Physical review letters Vol. 110; no. 7; p. 078304
• Main Authors: Xiong, Hui, Yildirim, Handan, Podsiadlo, Paul, Zhang, Jun, Prakapenka, Vitali B, Greeley, Jeffrey P, Shevchenko, Elena V, Zhuravlev, Kirill K, Tkachev, Sergey, Sankaranarayanan, Subramanian K R S, Rajh, Tijana
• Format: Journal Article
• Language: English
• Published: United States 13.02.2013

Experimental and theoretical studies on the compositional dependence of stability and compressibility in lithiated cubic titania are presented. The crystalline-to-amorphous phase transition pressure increases monotonically with Li concentration (from ∼17.5  GPa for delithiated to no phase transition...