Publication list



Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface

D Donadio, LM Ghiringhelli, L Delle Site

J Am Chem Soc vol. 134 pp. 19217 (2012)


Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations

YP He, I Savic, D Donadio, G Galli

Phys Chem Chem Phys vol. 14 pp. 16209 (2012)


Adsorption of Dichlorobenzene on Au and Pt Stepped Surfaces Using van der Waals Density Functional Theory

R Pekoz, K Johnston, D Donadio

J Phys Chem C (2012) vol. 116 pp. 20409


Thermal transport in phase-change materials from atomistic simulations

G C Sosso, D Donadio, S Caravati, J Behler, M Bernasconi

Phys Rev B (2012), vol. 86, 104301


Atomistic simulations of heat transport in real-scale silicon nanowire devices

I Duchemin, D Donadio

Appl. Phys. Lett. (2012), vol. 100 pp. 223107


Ab initio characterization of graphene nanoribbons and their polymer precursors

R Pekoz, X Feng, D Donadio

J. Phys.: Condens. Matter (2012) vol. 24 pp. 104023



Homogeneous Ice nucleation from supercooled water

TS Li, D Donadio, G Russo, G Galli

Phys Chem Chem Phys (2011) vol. 13 pp. 19807

Atomistic calculation of the thermal conductance of large scale bulk-nanowire junctions

I Duchemin, D Donadio

Phys Rev B (2011) vol. 84 pp. 115423

Proton wires via one dimensional water chains adsorbed on metallic steps

R Scipioni, D Donadio, LM Ghiringhelli, L Delle Site

J Chem Theo Comp (2011) vol. 7 pp. 2681

Morphology and Temperature Dependence of the Thermal Conductivity of Nanoporous SiGe

YP He, D Donadio, G Galli

Nano Lett (2011) vol. 11 pp. 3935

Stability of hydrocarbons at deep Earth pressures and temperatures.

L Spanu, D Donadio, E Schwegler, D Hohl, G Galli

P Natl Acad Sci Usa (2011) vol. 108 (17) pp. 6843-6846

Heat transport in amorphous silicon: Interplay between morphology and disorder.

YP He, D Donadio, G Galli

Appl. Phys. Lett. (2011) vol. 98 (14) pp. 144101

Thermal Transport in Nanoporous Silicon: Interplay between Disorder at Mesoscopic and Atomic Scales.

YP He, D Donadio, J-H Lee, JC Grossman, G Galli

Acs Nano (2011) vol. 5 (3) pp. 1839-1844


First-Principle Analysis of the IR Stretching Band of Liquid Water.

C Zhang, D Donadio, G Galli.

J Phys Chem Lett (2010) vol. 1 (9) pp. 1398-1402

Ab initio investigation of the melting line of nitrogen at high pressure.

D Donadio, L Spanu, I Duchemin, F Gygi, G Galli.

Phys Rev B (2010) vol. 82 (2) pp. 020102

Temperature Dependence of the Thermal Conductivity of Thin Silicon Nanowires.

D Donadio, G Galli.

Nano Lett. (2010) vol. 10 (3) pp. 847-851

THERMOELECTRIC MATERIALS Silicon stops heat in its tracks.

G Galli, D Donadio.

Nature Nanotech. (2010) vol. 5 (10) pp. 701-702

Cluster expansion and optimization of thermal conductivity in SiGe nanowires.

MKY Chan, J Reed, D Donadio, T Mueller, YS Meng, G Galli, G Ceder.

Phys Rev B (2010) vol. 81 (17) pp. 174303

Exploring the Rehydroxylation Reaction of Pyrophyllite by Ab Initio Molecular Dynamics.

E Molina-Montes, D Donadio, A Hernandez-Laguna, C Ignacio Sainz-Diaz.

J Phys Chem B (2010) vol. 114 (22) pp. 7593-7601

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