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TiO2

Titanium dioxide (Wikipedia)


M Zhang, T Chen, Y Wang, Insights into TiO2 polymorphs: highly selective synthesis, phase transition, and their polymorphdependent properties, RSC Adv 7, 52755 (2017)

Y T Cheng, T R Shan, T Liang, R K Behera, S R Phillpot, S B Sinnott, A charge optimized many-body (COMB) potential for titanium and titania, JPC 26, 315007 (2014)

K Sabyrov, N D Burrows, R L Penn, Size-Dependent Anatase to Rutile Phase Transformation and Particle Growth, CM 25, 1408 (2013)

V Pfeifer, P Erhart, S Li, K Rachut, J Morasch, J Brotz, P Reckers, T Mayer, S Ruhle, A Zaban, I M Sero, J Bisquert, W Jaegermann, A Klein, Energy Band Alignment between Anatase and Rutile TiO2, JPCL 4, 4182 (2013)

E Shojaee, M R Mohammadizadeh, First-principles elastic and thermal properties of TiO2: a phonon approach, JPC 22, 015401 (2010)

M B Yahia, F Lemoigno, T Beuvier, J S Filhol, M Richard-Plouet, L Brohan, M L Doublet, Updated references for the structural, electronic, and vibrational properties of TiO2(B) bulk using first-principles density functional theory calculations, JCP 130, 204501 (2009) – cif

X G Ma, P Liang, L Miao, S W Bie, C K Zhang, L Xu, J J Jiang, Pressure-induced phase transition and elastic properties of TiO2 polymorphs, PSSB 246, 2132 (2009)

M Horn, C P Schwerdtfeger, E P Meagher, Refinement of the structure of anatase at several temperatures, Z Kristallogr 136, 273 (1972) – cif

Defects

M Nowotny, T Bak, J Nowotny, Electrical Properties and Defect Chemistry of TiO2 Single Crystal. I. Electrical Conductivity, JPCB 110, 16270 (2006)

Surface

S Selcuk, A Selloni, Excess electrons at anatase TiO2 surfaces and interfaces: insights from first principles simulations, JPD 50, 273002 (2017)

M A Henderson, I Lyubinetsky, Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110), CR 113, 4428 (2013)

C L Pang, R Lindsay, G Thornton, Structure of Clean and Adsorbate-Covered Single-Crystal Rutile TiO2 Surfaces, CR 113, 3887 (2013)


C E Patrick, F Giustino, Structure of a Water Monolayer on the Anatase TiO2(101) Surface, PRApp 2, 014001 (2014)

Solar cell

T Dittrich, Porous TiO2: electron transport and application to dye sensitized injection solar cells, PSSA 182, 447 (2000)

Cathode

A G Dylla, P Xiao, G Henkelman, K J Stevenson, Morphological Dependence of Lithium Insertion in Nanocrystalline TiO2(B) Nanoparticles and Nanosheets, JPCL 3, 2015 (2012) – video

B J Morgan, G W Watson, GGA+U description of lithium intercalation into anatase TiO2, PRB 82, 144119 (2010)

M Wagemaker, A Van Der Ven, D Morgan, G Ceder, F M Mulder, G J Kearley, Thermodynamics of spinel LixTiO2 from first principles, CP 317, 130 (2005)