Di Valentin C - Search Results

1

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. Ougaard Dohn A, et al. Among authors: di valentin c. Molecules. 2018 Nov 13;23(11):2958. doi: 10.3390/molecules23112958. Molecules. 2018. PMID: 30428551 Free PMC article.

2

Theoretical Studies of Oxygen Reactivity of Free-Standing and Supported Boron-Doped Graphene.

Di Valentin C, Ferrighi L, Fazio G. Di Valentin C, et al. ChemSusChem. 2016 May 23;9(10):1061-77. doi: 10.1002/cssc.201501439. Epub 2016 Mar 31. ChemSusChem. 2016. PMID: 27031193 Review.

3

Catalysis under Cover: Enhanced Reactivity at the Interface between (Doped) Graphene and Anatase TiO2.

Ferrighi L, Datteo M, Fazio G, Di Valentin C. Ferrighi L, et al. Among authors: di valentin c. J Am Chem Soc. 2016 Jun 15;138(23):7365-76. doi: 10.1021/jacs.6b02990. Epub 2016 Jun 7. J Am Chem Soc. 2016. PMID: 27203544

4

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

Selli D, Fazio G, Seifert G, Di Valentin C. Selli D, et al. Among authors: di valentin c. J Chem Theory Comput. 2017 Aug 8;13(8):3862-3873. doi: 10.1021/acs.jctc.7b00479. Epub 2017 Jul 20. J Chem Theory Comput. 2017. PMID: 28679048 Free PMC article.

5

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

Ferrighi L, Perilli D, Selli D, Di Valentin C. Ferrighi L, et al. Among authors: di valentin c. ACS Appl Mater Interfaces. 2017 Sep 6;9(35):29932-29941. doi: 10.1021/acsami.7b06633. Epub 2017 Aug 24. ACS Appl Mater Interfaces. 2017. PMID: 28795791

6

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

Selli D, Fazio G, Di Valentin C. Selli D, et al. Among authors: di valentin c. J Chem Phys. 2017 Oct 28;147(16):164701. doi: 10.1063/1.4994165. J Chem Phys. 2017. PMID: 29096504

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. Shirai K, et al. Among authors: di valentin c. J Am Chem Soc. 2018 Jan 31;140(4):1415-1422. doi: 10.1021/jacs.7b11061. Epub 2018 Jan 22. J Am Chem Soc. 2018. PMID: 29325412 Free PMC article.

8

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

Fazio G, Selli D, Ferraro L, Seifert G, Di Valentin C. Fazio G, et al. Among authors: di valentin c. ACS Appl Mater Interfaces. 2018 Sep 5;10(35):29943-29953. doi: 10.1021/acsami.8b08172. Epub 2018 Jul 9. ACS Appl Mater Interfaces. 2018. PMID: 29950088 Free PMC article.

9

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

Perilli D, Selli D, Liu H, Di Valentin C. Perilli D, et al. Among authors: di valentin c. ChemSusChem. 2019 May 8;12(9):1995-2007. doi: 10.1002/cssc.201802499. Epub 2019 Mar 4. ChemSusChem. 2019. PMID: 30600934

10

Proton Transfers at a Dopamine-Functionalized TiO₂ Interface.

Ronchi C, Selli D, Pipornpong W, Di Valentin C. Ronchi C, et al. Among authors: 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. J Phys Chem C Nanomater Interfaces. 2019. PMID: 30976374 Free PMC article.

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