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Items: 16

1.

Impact of surface curvature, grafting density and solvent type on the PEGylation of titanium dioxide nanoparticles.

Selli D, Motta S, Di Valentin C.

J Colloid Interface Sci. 2019 Aug 1;555:519-531. doi: 10.1016/j.jcis.2019.07.106. [Epub ahead of print]

PMID:
31404836
2.

Proton Transfers at a Dopamine-Functionalized TiO2 Interface.

Ronchi C, Selli D, Pipornpong W, Di Valentin C.

J Phys Chem C Nanomater Interfaces. 2019 Apr 4;123(13):7682-7695. doi: 10.1021/acs.jpcc.8b04921. Epub 2018 Jun 20.

3.

Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective h-BN.

Perilli D, Selli D, Liu H, Di Valentin C.

ChemSusChem. 2019 May 8;12(9):1995-2007. doi: 10.1002/cssc.201802499. Epub 2019 Mar 4.

PMID:
30600934
4.

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard⁻Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles.

Ougaard Dohn A, Selli D, Fazio G, Ferraro L, Mortensen JJ, Civalleri B, Di Valentin C.

Molecules. 2018 Nov 13;23(11). pii: E2958. doi: 10.3390/molecules23112958.

5.

An electrochemical thermal transistor.

Sood A, Xiong F, Chen S, Wang H, Selli D, Zhang J, McClellan CJ, Sun J, Donadio D, Cui Y, Pop E, Goodson KE.

Nat Commun. 2018 Oct 30;9(1):4510. doi: 10.1038/s41467-018-06760-7.

6.

Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects.

Fazio G, Selli D, Ferraro L, Seifert G, Di Valentin C.

ACS Appl Mater Interfaces. 2018 Sep 5;10(35):29943-29953. doi: 10.1021/acsami.8b08172. Epub 2018 Jul 9.

7.

Water-Assisted Hole Trapping at the Highly Curved Surface of Nano-TiO2 Photocatalyst.

Shirai K, Fazio G, Sugimoto T, Selli D, Ferraro L, Watanabe K, Haruta M, Ohtani B, Kurata H, Di Valentin C, Matsumoto Y.

J Am Chem Soc. 2018 Jan 31;140(4):1415-1422. doi: 10.1021/jacs.7b11061. Epub 2018 Jan 22.

8.

Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

Selli D, Fazio G, Di Valentin C.

J Chem Phys. 2017 Oct 28;147(16):164701. doi: 10.1063/1.4994165.

PMID:
29096504
9.

Water at the Interface Between Defective Graphene and Cu or Pt (111) Surfaces.

Ferrighi L, Perilli D, Selli D, Di Valentin C.

ACS Appl Mater Interfaces. 2017 Sep 6;9(35):29932-29941. doi: 10.1021/acsami.7b06633. Epub 2017 Aug 24.

PMID:
28795791
10.

Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method.

Selli D, Fazio G, Seifert G, Di Valentin C.

J Chem Theory Comput. 2017 Aug 8;13(8):3862-3873. doi: 10.1021/acs.jctc.7b00479. Epub 2017 Jul 20.

11.

Ab Initio Investigation of Polyethylene Glycol Coating of TiO2 Surfaces.

Selli D, Valentin CD.

J Phys Chem C Nanomater Interfaces. 2016 Dec 29;120(51):29190-29201. doi: 10.1021/acs.jpcc.6b09554. Epub 2016 Oct 25.

12.

Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers.

Selli D, Boulfelfel SE, Schapotschnikow P, Donadio D, Leoni S.

Nanoscale. 2016 Feb 14;8(6):3729-38. doi: 10.1039/c5nr05279c. Epub 2016 Jan 27.

PMID:
26815914
13.

Theoretical investigation of the electronic structure and quantum transport in the graphene-C(111) diamond surface system.

Selli D, Baburin I, Leoni S, Zhu Z, Tománek D, Seifert G.

J Phys Condens Matter. 2013 Oct 30;25(43):435302. doi: 10.1088/0953-8984/25/43/435302. Epub 2013 Oct 4.

PMID:
24096938
14.

Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study.

Tayran C, Zhu Z, Baldoni M, Selli D, Seifert G, Tománek D.

Phys Rev Lett. 2013 Apr 26;110(17):176805. Epub 2013 Apr 26.

PMID:
23679758
15.

Novel metastable metallic and semiconducting germaniums.

Selli D, Baburin IA, Martoňák R, Leoni S.

Sci Rep. 2013;3:1466. doi: 10.1038/srep01466.

16.

Redox-switchable devices based on functionalized graphene nanoribbons.

Selli D, Baldoni M, Sgamellotti A, Mercuri F.

Nanoscale. 2012 Feb 21;4(4):1350-4. doi: 10.1039/c2nr11743f. Epub 2012 Jan 26.

PMID:
22281659

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