Dr. Amilcare Iacomino

Other jaedoc CSIC

Email

amilcareiacomino [at] gmail [dot] com

Country

Italy

Phone

+34 943 01 8823 (CSIC)

Address

Centro de Física de Materiales, Pº Manuel de Lardizabal 5, Donostia - San Sebastián, Gipuzkoa E-20018 (ESPAÑA)

Research Information

Research Overview

I am currently working on exploring new properties at the atomistic level for innovative and advanced applications in many areas of public interest (green energy production, biocompatible materials, electronics, concept devices, etc.). The backbone of my approach relies upon the application of first-principle theories, modeling, and simulation of specific case systems, in both their ground and excited states. My primary goals are to uncover key information on the energetic stability, the geometric configuration, the electronic and optical properties, the photo-catalytic activity and related quantities in order to optimize selected features. To these purposes interdisciplinary methods, co-working and extended collaborations are welcomed.

Ongoing research

TiO₂-based devices for photovoltaics and photocatalysis
Optical absorption properties of (0-1D) nanostructures. Stability, electronic and optical analysis of covered, passivated, and functionalized surfaces. Optical response of defect rich bulk crystals.

Alkali-metal-water interfaces and heterostructures
Geometry and stability, configuration populations, and electronic excitations of alkali-water clusters on a metallic Cu(111) surface and in gas phase.

Transition metal dichalcogenides
Optical absorption spectra and excitonic properties of single- and multi-layered TMD surfaces for optoelectronic enhancement.

2D structures: Silicene and Germanene
Electronic and optical properties of free standing and substrate reconstructed Germanene layers for electron carrier generation and transport tuning.

1D structures: Cu₃N
Geometry and stability analysis of 1D nanowires for electronic and optical behaviuor in a confined regime.

Related Research Areas

• Extended systems: solids, surfaces, liquids. Applications (e.g photovoltaics)
• Nanoplasmonics
• Nanostructures and nanotubes. Nanocapilarity
• Scientific computing

Latest publications

Level alignment of a prototypical photocatalytic system: Methanol on TiO₂(110)

Annapaola Migani, Duncan J. Mowbray, Amilcare Iacomino, Jin Zhao, Hrvoje Petek, Angel Rubio
Journal Of The American Chemical Society 135, 11429 - 11432 (2013)

Electronic structure of silicene on Ag(111): strong hybridization effects

Seymur Cahangirov, Martha Audiffred, Peizhe Tang, Amilcare Iacomino, Wenhui Duan, Gabriel Merino, Angel Rubio
Physical Review B 88, 035432 (2013)

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