962 citations · 2.9k across the 40 of their papers we have counts for
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Steric hindrance in the on-surface synthesis of diethynyl-linked anthracene polymers
Simona Achilli, Francesco Tumino, Andi Rabia +8
Hybrid sp-sp2 structures can be efficiently obtained on metal substrates via on-surface synthesis. The choice of both the precursor and of the substrate impacts on the effectivenes…
Graphdiynes interacting with metal surfaces: first-principles electronic and vibrational properties
Simona Achilli, Alberto Milani, Guido Fratesi +4
Graphdiynes (GDYs) represent a class of 2D carbon materials based on sp-sp hybridization with appealing properties and potential applications. Recent advances have demonstrated…
Position-controlled functionalization of vacancies in silicon by single-ion implanted germanium atoms
Simona Achilli, Nguyen H. Le, Guido Fratesi +7
Special point defects in semiconductors have been envisioned as suitable components for quantum-information technology. The identification of new deep centers in silicon that can b…
Structural, Electronic, and Vibrational Properties of 2D Graphdiyne-Like Carbon Nanonetwork Synthesized on Au(111): Implications for the Engineering of sp-sp2 Carbon Nanostructures
Andi Rabia, Francesco Tumino, Alberto Milani +11
Graphdiyne, atomically-thin 2D carbon nanostructure based on sp-sp2 hybridization, is an appealing system potentially showing outstanding mechanical and optoelectronic properties.…
Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of -Monoclinic WO
Matteo Gerosa, Cristiana Di Valentin, Giovanni Onida +2
Tungsten trioxide (WO) is a paradigmatic electrochromic material, whose peculiar optical properties in the presence of oxygen vacancies or intercalated alkali atoms have been o…
Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT
Matteo Gerosa, Cristiana Di Valentin, Carlo Enrico Bottani +2
We investigate the long-standing problem of the hole localization at the Al impurity in quartz SiO, using a relatively recent DFT hybrid-functional method in which the exchange…