12 citations · 12 across the 3 of their papers we have counts for
6 papers
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…
Magnetic properties of {M} coordination clusters with different magnetic cores (M=Co, Mn)
Simona Achilli, Claire Besson, Xu He +3
We present a joint experimental and theoretical characterization of the magnetic properties of coordination clusters with an antiferromagnetic core of four magnetic ions. Two diffe…
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.…
Keto-enol tautomerization drives the self-assembly of Leucoquinizarin on Au(111)
Roberto Costantini, Luciano Colazzo, Laura Batini +7
The self-assembly of Leucoquinizarin molecule on Au(111) surface is shown to be characterized by the molecules mostly in their keto-enolic tautomeric form, with evidences of their…
GeVn complexes for silicon-based room-temperature single-atom nanoelectronics
Simona Achilli, Nicola Manini, Giovanni Onida +3
We characterize germanium-vacancy GeVn complexes in silicon using first-principles Density Functional Theory calculations with screening-dependent hybrid functionals. We report on…