230 citations · 283 across the 8 of their papers we have counts for
8 papers
Mapping the Growth of Two-Dimensional -Conjugated Polymers on Au(111): Organometallic Intermediates and Edge Terminations
Simon W. Briesenick, Wyatt A. Behn, Manuel González Lastre +6
Kagome lattices provide an exciting space for the exploration of graphene-like -conjugated molecular systems with flat bands. Using heterotriangulene-derived precursors, along w…
Bond-resolved STM with density-based methods
Emiliano Ventura-Macias, Jose Martinez-Castro, Guillermo Haas +7
Bond-resolved STM (BRSTM) is a recent technique that combines the advantages of scanning tunneling microscopy (STM) with the outstanding intramolecular resolution provided by non-c…
Molecular Identification via Molecular Fingerprint extraction from Atomic Force Microscopy images
Manuel González Lastre, Pablo Pou, Miguel Wiche +3
Non--Contact Atomic Force Microscopy with CO--functionalized metal tips (referred to as HR-AFM) provides access to the internal structure of individual molecules adsorbed on a surf…
Molecular Identification from AFM images using the IUPAC Nomenclature and Attribute Multimodal Recurrent Neural Networks
Jaime Carracedo-Cosme, Carlos Romero-Muñiz, Pablo Pou +1
Despite being the main tool to visualize molecules at the atomic scale, AFM with CO-functionalized metal tips is unable to chemically identify the observed molecules. Here we prese…
High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: The case of graphene-metal interfaces
Carlos Romero-Muñiz, Ayako Nakata, Pablo Pou +3
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its a…
Point defects on graphene on metals
M. M. Ugeda, D. Fernández-Torre, I. Brihuega +4
Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metall…
Metallic properties of magnesium point contacts
R. H. M. Smit, A. I. Mares, M. Haefner +3
We present an experimental and theoretical study of the conductance and stability of Mg atomic-sized contacts. Using Mechanically Controllable Break Junctions (MCBJ), we have obser…
Electron correlation effects and ferromagnetism in Iron
Pablo Pou, Fernando Flores, Jose Ortega +2
Electron correlation effects in Fe are analyzed using a first principles LCAO-scheme. In our approach, we first use a local orbital DFT-LDA solution to introduce a Hubbard Hamilton…