화학공학소재연구정보센터
검색결과 : 21건
No. Article
1 Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy
Ramirez LP, Gallet JJ, Bournel F, Lim F, Carniato S, Rochet F, Yazyev OV, Pasquarello A, Magnano E, Bondino F
Journal of Physical Chemistry A, 124(26), 5378, 2020
2 Reaction pathway of oxygen evolution on Pt(111) revealed through constant Fermi level molecular dynamics
Bouzid A, Gono P, Pasquarello A
Journal of Catalysis, 375, 135, 2019
3 Electronic and structural characterization of barrier-type amorphous aluminium oxide
Evangelisti F, Stiefel M, Guseva O, Nia RP, Hauert R, Hack E, Jeurgens LPH, Ambrosio F, Pasquarello A, Schmutz P, Cancellieri C
Electrochimica Acta, 224, 503, 2017
4 Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study
Ambrosio F, Miceli G, Pasquarello A
Journal of Physical Chemistry B, 120(30), 7456, 2016
5 The O-As defect in GaAs: A hybrid density functional study
Colleoni D, Pasquarello A
Applied Surface Science, 291, 6, 2014
6 Defect levels at GaAs/Al2O3 interfaces: As-As dimer vs. Ga dangling bond
Miceli G, Pasquarello A
Applied Surface Science, 291, 16, 2014
7 Intercalation of H at the graphene/SiC(0001) interface: Structure and stability from first principles
Sclauzero G, Pasquarello A
Applied Surface Science, 291, 64, 2014
8 O-2 oxidation reaction at the Si(100)-SiO2 interface: A first-principles investigation
Bongiorno A, Pasquarello A
Journal of Materials Science, 40(12), 3047, 2005
9 An electronegativity-induced spin repulsion effect
Stirling A, Pasquarello A
Journal of Physical Chemistry A, 109(37), 8385, 2005
10 Atomistic model structure of the Si(100)-SiO2 interface from a synthesis of experimental data
Bongiorno A, Pasquarello A
Applied Surface Science, 234(1-4), 190, 2004