Prezhdo OV - Search Results

1

Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2.

Duncan WR, Craig CF, Prezhdo OV. Duncan WR, et al. Among authors: prezhdo ov. J Am Chem Soc. 2007 Jul 11;129(27):8528-43. doi: 10.1021/ja0707198. Epub 2007 Jun 19. J Am Chem Soc. 2007. PMID: 17579405

2

Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection across the alizarin-TiO2 interface.

Duncan WR, Stier WM, Prezhdo OV. Duncan WR, et al. Among authors: prezhdo ov. J Am Chem Soc. 2005 Jun 1;127(21):7941-51. doi: 10.1021/ja042156v. J Am Chem Soc. 2005. PMID: 15913385

3

Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics.

Craig CF, Duncan WR, Prezhdo OV. Craig CF, et al. Among authors: prezhdo ov. Phys Rev Lett. 2005 Oct 14;95(16):163001. doi: 10.1103/PhysRevLett.95.163001. Epub 2005 Oct 10. Phys Rev Lett. 2005. PMID: 16241791

4

Time-domain ab initio simulation of electron and hole relaxation dynamics in a single-wall semiconducting carbon nanotube.

Habenicht BF, Craig CF, Prezhdo OV. Habenicht BF, et al. Among authors: prezhdo ov. Phys Rev Lett. 2006 May 12;96(18):187401. doi: 10.1103/PhysRevLett.96.187401. Epub 2006 May 11. Phys Rev Lett. 2006. PMID: 16712393

5

Electronic structure and spectra of catechol and alizarin in the gas phase and attached to titanium.

Duncan WR, Prezhdo OV. Duncan WR, et al. Among authors: prezhdo ov. J Phys Chem B. 2005 Jan 13;109(1):365-73. doi: 10.1021/jp046342z. J Phys Chem B. 2005. PMID: 16851024

6

Nonadiabatic molecular dynamics study of electron transfer from alizarin to the hydrated Ti4+ ion.

Duncan WR, Prezhdo OV. Duncan WR, et al. Among authors: prezhdo ov. J Phys Chem B. 2005 Sep 29;109(38):17998-8002. doi: 10.1021/jp052570x. J Phys Chem B. 2005. PMID: 16853310

7

Theoretical studies of photoinduced electron transfer in dye-sensitized TiO2.

Duncan WR, Prezhdo OV. Duncan WR, et al. Among authors: prezhdo ov. Annu Rev Phys Chem. 2007;58:143-84. doi: 10.1146/annurev.physchem.58.052306.144054. Annu Rev Phys Chem. 2007. PMID: 17059368

8

Dynamics of the photoexcited electron at the chromophore-semiconductor interface.

Prezhdo OV, Duncan WR, Prezhdo VV. Prezhdo OV, et al. Among authors: prezhdo vv. Acc Chem Res. 2008 Feb;41(2):339-48. doi: 10.1021/ar700122b. Epub 2008 Feb 19. Acc Chem Res. 2008. PMID: 18281950

9

Nonradiative quenching of fluorescence in a semiconducting carbon nanotube: a time-domain ab initio study.

Habenicht BF, Prezhdo OV. Habenicht BF, et al. Among authors: prezhdo ov. Phys Rev Lett. 2008 May 16;100(19):197402. doi: 10.1103/PhysRevLett.100.197402. Epub 2008 May 14. Phys Rev Lett. 2008. PMID: 18518485

10

Temperature independence of the photoinduced electron injection in dye-sensitized TiO2 rationalized by ab initio time-domain density functional theory.

Duncan WR, Prezhdo OV. Duncan WR, et al. Among authors: prezhdo ov. J Am Chem Soc. 2008 Jul 30;130(30):9756-62. doi: 10.1021/ja800268x. Epub 2008 Jul 1. J Am Chem Soc. 2008. PMID: 18593123

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