57 citations · 137 across the 7 of their papers we have counts for
7 papers
Structure, stability and optical absorption spectra of small TiC clusters: a first-principles approach
Sergio Gámez-Valenzuela, Julio A. Alonso, Gonzalo Santoro +1
Titanium-carbide molecular clusters are thought to form in the circumstellar envelopes (CSEs) of carbon-rich Asymptotic Giant Branch stars (AGBs) but, to date, their detection has…
On-Surface Hydrogen-Induced Covalent Coupling of Polycyclic Aromatic Hydrocarbons via a Superhydrogenated Intermediate
Carlos Sánchez-Sánchez, José Ignacio Martínez, Nerea Ruiz del Arbol +5
The activation and subsequent covalent coupling of polycyclic aromatic hydrocarbons (PAHs) are of great interest in fields like chemistry, energy, biology, or health, among others.…
Versatile Graphene-Based Platform for Robust Nanobiohybrid Interfaces
Rebeca Bueno, Marzia Marciello, Miguel Moreno +16
Technologically useful and robust graphene-based interfaces for devices require the introduction of highly selective, stable, and covalently bonded functionalities on the graphene…
An Improved Descriptor of Cluster Stability. Application to Small Carbon Clusters
Jose I. Martinez, Julio A. Alonso
The mass spectra of gas-phase clusters in cluster beams have a rich structure where the relative heights of the peaks compared to peaks corresponding to clusters of neighbor sizes…
Formation of Hydrocarbons from Hydrogenated Graphene in Circumstellar Clouds
Jose I. Martinez, Jose A. Martin-Gago, Jose Cernicharo +1
We describe a mechanism that explains the formation of hydrocarbons and hydrocarbyls from hydrogenated graphene/graphite; hard C-C bonds are weakened and broken by the synergistic…
Barrier Height Formation in Organic Blends / Metal Interfaces: Case of (TTF-TCNQ) / Au(111)
Jose Ignacio Martinez, Enrique Abad, Juan Beltran +2
The interface between the tetrathiafulvalene / tetracyanoquinodimethane (TTFTCNQ) organic blend and the Au(111) metal surface is analyzed by Density Functional Theory calculations,…