662 citations
- Universidade Federal do ABCBR53 papers
- Universidade Estadual de Campinas (UNICAMP)BR51 papers
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- Charles UniversityCZ50 papers
- Gran Sasso Science InstituteIT50 papers
- Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Gran SassoIT50 papers
- National Institute for Subatomic PhysicsNL50 papers
- Universidad de GranadaES50 papers
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6 papers · 1 filter
Phase engineering of MoS monolayers: A pathway to enhanced lithium-polysulfide battery performance
J. W. González, E. Flórez, R. A. Gallardo +1
This study explores the potential of MoS polymorphs, specifically the semiconducting 2H phase and the metallic 1T phase, as anchoring materials to enhance the electroc…
MoS 2D-polymorphs as a Li-/Na-ion batteries: 1T' vs 2H phases
J. W. González, E. Flórez, J. D. Correa
In this study, we compare the performance of two phases of MoS monolayers: 1T' and 2H, about their ability to adsorb lithium and sodium ions. Employing the density functional t…
Two-dimensional Weyl points and nodal lines in pentagonal materials and their optical response
Sergio Bravo, M. Pacheco, V. Nunez +2
Two-dimensional pentagonal structures based on the Cairo tiling are the basis of a family of layered materials with appealing physical properties. In this work we present a theoret…
Symmetry-protected metallic and topological phases in penta-materials
Sergio Bravo, J. D. Correa, Leonor Chico +1
We analyze the symmetry and topological features of a family of materials closely related to penta-graphene, derived from it by adsorption or substitution of different atoms. Our d…
Tight-binding model for opto-electronic properties of penta-graphene nanostructures
Sergio Bravo, J. D. Correa, Leonor Chico +1
We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated…
Noncovalent functionalization of carbon nanotubes and graphene with tetraphenylporphyrins: Stability and optical properties from ab-initio calculations
Walter Orellana, J. D. Correa
The stability, electronic and optical properties of single-walled carbon nanotubes (CNTs) and graphene noncovalently functionalized with free-base tetraphenylporphyrin (TPP) molecu…