Manzhos S - Search Results

1

Comparative density functional theory-density functional tight binding study of fullerene derivatives: effects due to fullerene size, addends, and crystallinity on band structure, charge transport and optical properties.

Pal A, Wen LK, Jun CY, Jeon I, Matsuo Y, Manzhos S. Pal A, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2017 Oct 25;19(41):28330-28343. doi: 10.1039/c7cp05290a. Phys Chem Chem Phys. 2017. PMID: 29034938

2

Effect of nuclear vibrations, temperature, co-adsorbed water, and dye orientation on light absorption, charge injection and recombination conditions in organic dyes on TiO2.

Manzhos S, Segawa H, Yamashita K. Manzhos S, et al. Phys Chem Chem Phys. 2013 Jan 28;15(4):1141-7. doi: 10.1039/c2cp43448b. Phys Chem Chem Phys. 2013. PMID: 23223414

3

A benzothiadiazole end capped donor-acceptor based small molecule for organic electronics.

Sonar P, Williams EL, Singh SP, Manzhos S, Dodabalapur A. Sonar P, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2013 Oct 28;15(40):17064-9. doi: 10.1039/c3cp52929k. Phys Chem Chem Phys. 2013. PMID: 24030570

4

Controlling Na diffusion by rational design of Si-based layered architectures.

Kulish VV, Malyi OI, Ng MF, Chen Z, Manzhos S, Wu P. Kulish VV, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2014 Mar 7;16(9):4260-7. doi: 10.1039/c3cp54320j. Phys Chem Chem Phys. 2014. PMID: 24452014

5

A density functional tight binding study of acetic acid adsorption on crystalline and amorphous surfaces of titania.

Manzhos S, Giorgi G, Yamashita K. Manzhos S, et al. Molecules. 2015 Feb 17;20(2):3371-88. doi: 10.3390/molecules20023371. Molecules. 2015. PMID: 25690294 Free PMC article.

6

A computational study of lithium interaction with tetracyanoethylene (TCNE) and tetracyaniquinodimethane (TCNQ) molecules.

Chen Y, Manzhos S. Chen Y, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2016 Jan 21;18(3):1470-7. doi: 10.1039/c5cp06140g. Epub 2015 Dec 14. Phys Chem Chem Phys. 2016. PMID: 26660893

7

A comparative computational study of lithium and sodium insertion into van der Waals and covalent tetracyanoethylene (TCNE)-based crystals as promising materials for organic lithium and sodium ion batteries.

Chen Y, Manzhos S. Chen Y, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2016 Apr 7;18(13):8874-80. doi: 10.1039/c5cp07474f. Phys Chem Chem Phys. 2016. PMID: 26955920

8

Comparative density functional theory and density functional tight binding study of arginine and arginine-rich cell penetrating peptide TAT adsorption on anatase TiO2.

Li W, Kotsis K, Manzhos S. Li W, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2016 Jul 20;18(29):19902-17. doi: 10.1039/c6cp02671k. Phys Chem Chem Phys. 2016. PMID: 27400036

9

A first-principles comparative study of lithium, sodium, and magnesium storage in pure and gallium-doped germanium: Competition between interstitial and substitutional sites.

Legrain F, Manzhos S. Legrain F, et al. Among authors: manzhos s. J Chem Phys. 2017 Jan 21;146(3):034706. doi: 10.1063/1.4973841. J Chem Phys. 2017. PMID: 28109222

10

Aluminium and magnesium insertion in sulfur-based spinels: a first-principles study.

Kulish VV, Koch D, Manzhos S. Kulish VV, et al. Among authors: manzhos s. Phys Chem Chem Phys. 2017 Feb 22;19(8):6076-6081. doi: 10.1039/c6cp08284j. Phys Chem Chem Phys. 2017. PMID: 28191557

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