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Band alignment of rutile and anatase TiO₂.
Scanlon DO, Dunnill CW, Buckeridge J, Shevlin SA, Logsdail AJ, Woodley SM, Catlow CR, Powell MJ, Palgrave RG, Parkin IP, Watson GW, Keal TW, Sherwood P, Walsh A, Sokol AA. Scanlon DO, et al. Among authors: sokol aa. Nat Mater. 2013 Sep;12(9):798-801. doi: 10.1038/nmat3697. Epub 2013 Jul 7. Nat Mater. 2013. PMID: 23832124
From CO(2) to Methanol by Hybrid QM/MM Embedding This work was supported by EU Esprit IV project 25047. S.A.F. is grateful to ICI and Synetix for funding. K. Waugh, L. Whitmore, S. Cristol, and P. Sushko are thanked for their helpful insights. QM/MM=quantum mechanics/molecular mechanics.
French SA, Sokol AA, Bromley ST, Catlow CR, Rogers SC, King F, Sherwood P. French SA, et al. Among authors: sokol aa. Angew Chem Int Ed Engl. 2001 Dec 3;40(23):4437-4440. doi: 10.1002/1521-3773(20011203)40:23<4437::aid-anie4437>3.0.co;2-l. Angew Chem Int Ed Engl. 2001. PMID: 12404438 No abstract available.
Understanding the interface between oxides and metals.
Catlow CR, French SA, Sokol AA, Alfredsson M, Bromley ST. Catlow CR, et al. Among authors: sokol aa. Faraday Discuss. 2003;124:185-203; discussion 205-13, 453-5. doi: 10.1039/b211661h. Faraday Discuss. 2003. PMID: 14527217
The initial stages of aminosilanol polymerisation.
French SA, Sokol AA, Catlow CR, Kornherr A, Zifferer G. French SA, et al. Among authors: sokol aa. Chem Commun (Camb). 2004 Jan 7;(1):20-1. doi: 10.1039/b313146g. Epub 2003 Dec 1. Chem Commun (Camb). 2004. PMID: 14737312
Point defects in ZnO.
Sokol AA, French SA, Bromley ST, Catlow RA, van Dam HJ, Sherwood P. Sokol AA, et al. Faraday Discuss. 2007;134:267-82; discussion 315-29, 415-9. doi: 10.1039/b607406e. Faraday Discuss. 2007. PMID: 17326573
64 results