Selloni A - Search Results

1

Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase.

Chen J, Li YF, Sit P, Selloni A. Chen J, et al. Among authors: selloni a. J Am Chem Soc. 2013 Dec 18;135(50):18774-7. doi: 10.1021/ja410685m. Epub 2013 Dec 10. J Am Chem Soc. 2013. PMID: 24308541

2

First-principles string molecular dynamics: an efficient approach for finding chemical reaction pathways.

Kanai Y, Tilocca A, Selloni A, Car R. Kanai Y, et al. Among authors: selloni a. J Chem Phys. 2004 Aug 22;121(8):3359-67. doi: 10.1063/1.1773159. J Chem Phys. 2004. PMID: 15303898

3

Surface reaction of alkynes and alkenes with H-Si(111): a density functional theory study.

Takeuchi N, Kanai Y, Selloni A. Takeuchi N, et al. Among authors: selloni a. J Am Chem Soc. 2004 Dec 8;126(48):15890-6. doi: 10.1021/ja046702w. J Am Chem Soc. 2004. PMID: 15571414

4

Competing mechanisms in the optically activated functionalization of the hydrogen-terminated Si(111) surface.

Kanai Y, Selloni A. Kanai Y, et al. Among authors: selloni a. J Am Chem Soc. 2006 Mar 29;128(12):3892-3. doi: 10.1021/ja058698+. J Am Chem Soc. 2006. PMID: 16551080

5

Steps on anatase TiO2(101).

Gong XQ, Selloni A, Batzill M, Diebold U. Gong XQ, et al. Among authors: selloni a. Nat Mater. 2006 Aug;5(8):665-70. doi: 10.1038/nmat1695. Epub 2006 Jul 16. Nat Mater. 2006. PMID: 16845415

6

Small Au and Pt clusters at the anatase TiO2(101) surface: behavior at terraces, steps, and surface oxygen vacancies.

Gong XQ, Selloni A, Dulub O, Jacobson P, Diebold U. Gong XQ, et al. Among authors: selloni a. J Am Chem Soc. 2008 Jan 9;130(1):370-81. doi: 10.1021/ja0773148. Epub 2007 Dec 11. J Am Chem Soc. 2008. PMID: 18069837

7

Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101).

Cheng H, Selloni A. Cheng H, et al. Among authors: selloni a. J Chem Phys. 2009 Aug 7;131(5):054703. doi: 10.1063/1.3194301. J Chem Phys. 2009. PMID: 19673581

8

Hydroxide ions at the water/anatase TiO2(101) interface: structure and electronic states from first principles molecular dynamics.

Cheng H, Selloni A. Cheng H, et al. Among authors: selloni a. Langmuir. 2010 Jul 6;26(13):11518-25. doi: 10.1021/la100672f. Langmuir. 2010. PMID: 20481448

9

Simulation of electrocatalytic hydrogen production by a bioinspired catalyst anchored to a pyrite electrode.

Zipoli F, Car R, Cohen MH, Selloni A. Zipoli F, et al. Among authors: selloni a. J Am Chem Soc. 2010 Jun 30;132(25):8593-601. doi: 10.1021/ja910694p. J Am Chem Soc. 2010. PMID: 20521790

10

Peroxide and superoxide states of adsorbed O(2) on anatase TiO(2) (101) with subsurface defects.

Aschauer U, Chen J, Selloni A. Aschauer U, et al. Among authors: selloni a. Phys Chem Chem Phys. 2010 Oct 28;12(40):12956-60. doi: 10.1039/c0cp00116c. Epub 2010 Aug 27. Phys Chem Chem Phys. 2010. PMID: 20820549

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