Daniele Selli
Title
Cited by
Cited by
Year
Superhard carbon allotropes with odd and even ring topologies
D Selli, IA Baburin, R Martoňák, S Leoni
Physical Review B 84 (16), 161411, 2011
882011
Water-Assisted Hole Trapping at the Highly Curved Surface of Nano-TiO2 Photocatalyst
K Shirai, G Fazio, T Sugimoto, D Selli, L Ferraro, K Watanabe, M Haruta, ...
Journal of the American Chemical Society 140 (4), 1415-1422, 2018
312018
Unraveling the reactivity of semiconducting chiral carbon nanotubes through finite-length models based on Clar Sextet theory
M Baldoni, D Selli, A Sgamellotti, F Mercuri
The Journal of Physical Chemistry C 113 (3), 862-866, 2009
302009
Novel metastable metallic and semiconducting germaniums
D Selli, IA Baburin, R Martoňák, S Leoni
Scientific reports 3, 1466, 2013
292013
Native surface oxide turns alloyed silicon membranes into nanophononic metamaterials with ultralow thermal conductivity
S Xiong, D Selli, S Neogi, D Donadio
Physical Review B 95 (18), 180301, 2017
222017
Optimizing Electronic Structure and Quantum Transport at the Graphene-Si(111) Interface: An Ab Initio Density-Functional Study
C Tayran, Z Zhu, M Baldoni, D Selli, G Seifert, D Tománek
Physical review letters 110 (17), 176805, 2013
222013
An electrochemical thermal transistor
A Sood, F Xiong, S Chen, H Wang, D Selli, J Zhang, CJ McClellan, J Sun, ...
Nature communications 9 (1), 1-9, 2018
192018
Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
D Selli, G Fazio, C Di Valentin
The Journal of chemical physics 147 (16), 164701, 2017
182017
Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method
D Selli, G Fazio, G Seifert, C Di Valentin
Journal of chemical theory and computation 13 (8), 3862-3873, 2017
172017
Redox-switchable devices based on functionalized graphene nanoribbons
D Selli, M Baldoni, A Sgamellotti, F Mercuri
Nanoscale 4 (4), 1350-1354, 2012
152012
Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water
D Selli, G Fazio, C Di Valentin
Catalysts 7 (12), 357, 2017
132017
Water at the interface between defective graphene and Cu or Pt (111) surfaces
L Ferrighi, D Perilli, D Selli, C Di Valentin
ACS applied materials & interfaces 9 (35), 29932-29941, 2017
122017
Ab Initio Investigation of Polyethylene Glycol Coating of TiO2 Surfaces
D Selli, CD Valentin
The Journal of Physical Chemistry C 120 (51), 29190-29201, 2016
112016
Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers
D Selli, SE Boulfelfel, P Schapotschnikow, D Donadio, S Leoni
Nanoscale 8 (6), 3729-3738, 2016
102016
Theoretical investigation of the electronic structure and quantum transport in the graphene–C (111) diamond surface system
D Selli, I Baburin, S Leoni, Z Zhu, D Tománek, G Seifert
Journal of Physics: Condensed Matter 25 (43), 435302, 2013
102013
π magnetism of carbon monovacancy in graphene by hybrid density functional calculations
C Ronchi, M Datteo, D Perilli, L Ferrighi, G Fazio, D Selli, C Di Valentin
The Journal of Physical Chemistry C 121 (15), 8653-8661, 2017
92017
Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects
G Fazio, D Selli, L Ferraro, G Seifert, C Di Valentin
ACS applied materials & interfaces 10 (35), 29943-29953, 2018
82018
Revealing the hidden correlated electronic structure of strained graphene
L Craco, D Selli, G Seifert, S Leoni
Physical Review B 91 (20), 205120, 2015
72015
Correlation between atomistic morphology and electron transport properties in defect-free and defected graphene nanoribbons: An interpretation through Clar sextet theory
D Selli, F Mercuri
Carbon 75, 190-200, 2014
52014
Impact of surface curvature, grafting density and solvent type on the PEGylation of titanium dioxide nanoparticles
D Selli, S Motta, C Di Valentin
Journal of colloid and interface science 555, 519-531, 2019
32019
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Articles 1–20