Deák P - Search Results

1

The absorption of oxygenated silicon carbide nanoparticles.

Vörös M, Deák P, Frauenheim T, Gali A. Vörös M, et al. Among authors: deak p. J Chem Phys. 2010 Aug 14;133(6):064705. doi: 10.1063/1.3464482. J Chem Phys. 2010. PMID: 20707584

2

Strain-free polarization superlattice in silicon carbide: a theoretical investigation.

Deák P, Buruzs A, Gali A, Frauenheim T. Deák P, et al. Phys Rev Lett. 2006 Jun 16;96(23):236803. doi: 10.1103/PhysRevLett.96.236803. Epub 2006 Jun 13. Phys Rev Lett. 2006. PMID: 16803390

3

Theory of spin-conserving excitation of the N-V(-) center in diamond.

Gali A, Janzén E, Deák P, Kresse G, Kaxiras E. Gali A, et al. Among authors: deak p. Phys Rev Lett. 2009 Oct 30;103(18):186404. doi: 10.1103/PhysRevLett.103.186404. Epub 2009 Oct 27. Phys Rev Lett. 2009. PMID: 19905820

4

First principles theoretical study of the hole-assisted conversion of CO to CO2 on the anatase TiO2(101) surface.

Wanbayor R, Deák P, Frauenheim T, Ruangpornvisuti V. Wanbayor R, et al. Among authors: deak p. J Chem Phys. 2011 Mar 14;134(10):104701. doi: 10.1063/1.3562366. J Chem Phys. 2011. PMID: 21405178

5

Overcoordinated hydrogens in the carbon vacancy: donor centers of SiC.

Gali A, Aradi B, Deak P, Choyke WJ, Son NT. Gali A, et al. Among authors: deak p. Phys Rev Lett. 2000 May 22;84(21):4926-9. doi: 10.1103/PhysRevLett.84.4926. Phys Rev Lett. 2000. PMID: 10990833

6

Application of the Lany-Zunger polaron correction for calculating surface charge trapping.

Farzalipour Tabriz M, Aradi B, Frauenheim T, Deák P. Farzalipour Tabriz M, et al. Among authors: deak p. J Phys Condens Matter. 2017 Oct 4;29(39):394001. doi: 10.1088/1361-648X/aa7ebd. Epub 2017 Jul 10. J Phys Condens Matter. 2017. PMID: 28691921

7

Proper surface termination for luminescent near-surface NV centers in diamond.

Kaviani M, Deák P, Aradi B, Frauenheim T, Chou JP, Gali A. Kaviani M, et al. Among authors: deak p. Nano Lett. 2014 Aug 13;14(8):4772-7. doi: 10.1021/nl501927y. Epub 2014 Jul 25. Nano Lett. 2014. PMID: 25054621

8

Intrinsic defects of GaSe.

Deák P, Han M, Lorke M, Tabriz MF, Frauenheim T. Deák P, et al. J Phys Condens Matter. 2020 Jul 1;32(28):285503. doi: 10.1088/1361-648X/ab7fdb. J Phys Condens Matter. 2020. PMID: 32168498

9

Activity and Mechanism Mapping of Photocatalytic NO₂ Conversion on the Anatase TiO₂(101) Surface.

Guo P, Fu X, Deák P, Frauenheim T, Xiao J. Guo P, et al. Among authors: deak p. J Phys Chem Lett. 2021 Aug 19;12(32):7708-7716. doi: 10.1021/acs.jpclett.1c02263. Epub 2021 Aug 6. J Phys Chem Lett. 2021. PMID: 34355897

10

Predictive Theoretical Model for the Selective Electroreduction of Nitrate to Ammonia.

Mou T, Wang Y, Deák P, Li H, Long J, Fu X, Zhang B, Frauenheim T, Xiao J. Mou T, et al. Among authors: deak p. J Phys Chem Lett. 2022 Oct 27;13(42):9919-9927. doi: 10.1021/acs.jpclett.2c02452. Epub 2022 Oct 18. J Phys Chem Lett. 2022. PMID: 36256962

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