A5101868403- Graphene research and applications
- Quantum and electron transport phenomena
- Molecular Junctions and Nanostructures
- Topological Materials and Phenomena
- Synthesis and Properties of Aromatic Compounds
- Adaptive optics and wavefront sensing
- Fullerene Chemistry and Applications
- Advanced Chemical Physics Studies
- Astronomy and Astrophysical Research
- X-ray Diffraction in Crystallography
- Surface Chemistry and Catalysis
- 3D Shape Modeling and Analysis
- Micro and Nano Robotics
- Optical Systems and Laser Technology
- Crystallization and Solubility Studies
- Computer Graphics and Visualization Techniques
- Carbon Nanotubes in Composites
- Advanced NMR Techniques and Applications
- Optical Coatings and Gratings
- Magnetism in coordination complexes
- Ferroelectric and Piezoelectric Materials
- Pickering emulsions and particle stabilization
- Computational Geometry and Mesh Generation
- 3D Surveying and Cultural Heritage
- Advanced Sensor Technologies Research
SUNY Korea
2022-2025
Donostia International Physics Center
2022-2025
University of Aveiro
2025
University of Alicante
2004-2022
Bridge University
2022
ShanghaiTech University
2022
Shanghai Jiao Tong University
2022
Arizona State University
2021
QuantaLab
2018-2020
International Iberian Nanotechnology Laboratory
2018-2020
A variety of planar {\pi}-conjugated hydrocarbons such as heptauthrene, Clar's goblet and, recently synthesized, triangulene have two electrons occupying degenerate molecular orbitals. The resulting spin the interacting ground state is often correctly anticipated S = 1, extending application Hund's rules to these systems, but this not correct in some instances. Here we provide a set predict existence zero mode states, well multiplicity both and low-lying excited together with their open- or...
Abstract Indenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in nonlinear optics photovoltaics. Here we report the generation of unsubstituted indeno[1,2- a ]fluorene on various surfaces by cleavage two C–H bonds 7,12-dihydroindeno[1,2- through voltage pulses applied tip combined scanning tunnelling microscope atomic force microscope. On bilayer NaCl Au(111), is neutral charge...
Triangular zigzag nanographenes, such as triangulene and its π-extended homologues, have received widespread attention organic nanomagnets for molecular spintronics, may serve building blocks high-spin networks with long-range magnetic order, which are of immense fundamental technological relevance. As a first step towards these lines, we present the on-surface synthesis proof-of-principle experimental study magnetism in covalently bonded dimers. On-surface reactions rationally designed...
Abstract Triangular zigzag nanographenes, such as triangulene and its π‐extended homologues, have received widespread attention organic nanomagnets for molecular spintronics, may serve building blocks high‐spin networks with long‐range magnetic order, which are of immense fundamental technological relevance. As a first step towards these lines, we present the on‐surface synthesis proof‐of‐principle experimental study magnetism in covalently bonded dimers. On‐surface reactions rationally...
Open-shell nanographenes appear as promising candidates for future applications in spintronics and quantum technologies. A critical aspect to realize this potential is design control the magnetic exchange. Here, we reveal effects of frontier orbital symmetries on coupling diradical through scanning probe microscope measurements different levels theoretical calculations. In these open-shell nanographenes, exchange energy exhibits a remarkable variation between 20 160 meV. Theoretical...
The synthesis of constrained spirocycles is achieved effectively by means 1,3-dipolar cyclodditions employing α-imino γ-lactones as azomethine ylide precursors and nitroalkenes dipolarophiles. complex formed (R,R)-Me-DuPhos 18 AgF the most efficient bifunctional catalyst. Final spiro-nitroprolinates cycloadducts are obtained in good to moderate yields both high diastereo- enantioselectivities. Density functional theory (DFT) calculations supported expected absolute configuration well other...
We study spin excitations and the Kondo effect in open-shell nanographenes, motivated by recent scanning tunneling inelastic spectroscopy experiments. Specifically, we consider three systems: triangulene, extended triangulene with rocket shape, both an $S=1$ ground state, a dimer $S=0$ on account of intermolecular exchange. focus consequences hybridization nanographene zero modes conducting substrate $dI/dV$ line shapes associated excitations. The partially filled coupled to conduction...
Abstract Equilateral triangle-shaped graphene nanoislands with a lateral dimension of n benzene rings are known as <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mrow> <mml:mtext>[n]</mml:mtext> </mml:mrow> </mml:math> triangulenes. Individual triangulenes open-shell molecules, single-particle electronic spectra that host − 1 half-filled zero modes and many-body ground state spin <mml:mi>S</mml:mi> <mml:mo>=</mml:mo> <mml:mo stretchy="false">(</mml:mo>...
Abstract Monitoring the condition of rotating machinery offers a salient tool for predictive maintenance rolling elements subjected to continuous working loads, wear, fatigue, and degradation. In this study, an enhanced computational bearing fault simulation feature extraction is proposed. A subsequent identification scheme realized, through Bayesian optimization hyperparameters, including support vector classifier (SVC), gradient boosting (GBoost), random forest (RF), extreme (XBoost),...
We propose a mechanism to drive singlet-triplet spin transitions electrically in wide class of graphene nanostructures that present pairs in-gap zero modes, localized at opposite sublattices. Examples are rectangular nanographenes with short zigzag edges, armchair ribbon heterojunctions topological states, and islands $s{p}^{3}$ functionalization. The interplay between the hybridization modes Coulomb repulsion leads symmetric exchange interaction favors singlet ground state. Application an...
The combination of open-shell nanographenes (NGs) and magnetic transition metals holds great promise for generating various new quantum phases applicable in spintronics information technologies. However, a crucial aspect accomplishing this is to comprehend the exchange interactions between unpaired π- d-electrons, topic that has been seldom addressed. In study, we focus on π-d NGs coordination center Fe or Co by employing scanning tunneling microscopy spectroscopy. We synthesize two sets...
Engineering sublattice imbalance is an intuitive way to induce high-spin ground states in bipartite polycyclic conjugated hydrocarbons (PCHs). Such molecules can be employed as building blocks of quantum spin chains, which are outstanding platforms study fundamental models magnetism. This exemplified by recent reports on the bottom-up synthesis antiferromagnetic chains that provided insights into paradigmatic phenomena such fractionalization. In contrast antiferromagnetism, demonstration...
Triangulenes are prototypical examples of open-shell nanographenes. Their magnetic properties, arising from the presence unpaired π electrons, can be extensively tuned by modifying their size and shape or introducing heteroatoms. Different triangulene derivatives have been designed synthesized in recent years thanks to development on-surface synthesis strategies. Triangulene-based nanostructures with polyradical character, hosting several interacting spin units, challenging fabricate but...
The rules that govern spin exchange interaction in pristine graphene nanostructures are constrained by the bipartite character of lattice, so sign is determined whether magnetic moments on same sublattice or not. synthesis ribbons with perfect zigzag edges and a fluoranthene group pentagon ring, defect breaks nature honeycomb has been recently demonstrated. Here we address how electronic properties these structures modified such defects, both for indirect interactions as well emergent edge...
We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes various diameters lengths, starting from a molecular template varying shape diameter, i.e. cyclic oligoacene oligophenacene molecules, disclosing how adding layers and/or end-caps (i.e. hemifullerenes) can modify their (poly)radicaloid nature. mostly used tight-binding finite-temperature density-based methods, former providing simple but intuitive...
Poly(indenoindenes) are {\pi}-conjugated ladder carbon polymers with alternating hexagons and pentagons hosting one unpaired electron for each five-membered ring in the open-shell limit. Here we study main magnetic interactions that present finite oligo(indenoindenes) (OInIn), classifying six possible isomers two different classes of three each. One class can be rationalized by frustrated S = 1/2 Heisenberg chains, ferromagnetic between neighbour sites antiferromagnetic next neighbours. The...
Experiments and mathematical modeling show that complex flows driven by unexpected flagellar arrangements are induced when peritrichously flagellated bacteria confined in a thin layer of fluid, between asymmetric boundaries. The flagella apparently form dynamic bipolar assembly rather than the single bundle characteristic free swimming bacteria, resulting flow is observed to circulate around cell body. It ranges over several diameters, contrast small extent surrounding swimmers. Results also...
Dinoflagellates ( Pfisteria piscicida ) are unicellular micro-organisms that swim due to the action of two eucaryotic flagella: a trailing, longitudinal flagellum propagates planar waves and transverse helical waves. Motivated by wish understand role in dinoflagellate motility, we study fundamental fluid dynamics waving cylindrical tube wrapped into closed helix. Given an imposed travelling wave on structure, determine ring propels itself direction normal plane circular axis The magnitude...
We present a fast algorithm for continuous collision detection between deformable models. Our approach performs no precomputation and can handle general triangulated models undergoing topological changes. decomposition that represents the mesh boundary using hierarchical clusters only needs to perform inter-cluster checks. The key idea is compute such quickly merge them generate dynamic bounding volume hierarchy. overall reduces overhead of computing hierarchy also number false positives....
Open-shell polycyclic aromatic hydrocarbons (PAHs) represent promising building blocks for carbon-based functional magnetic materials. Their properties stem from the presence of unpaired electrons localized in radical states π character. Consequently, these materials are inclined to exhibit spin delocalization, form extended collective states, and respond flexibility molecular backbones. However, they also highly reactive, requiring structural strategies protect reacting with environment....
Indenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in non-linear optics photovoltaics. Here, we report the generation of unsubstituted indeno[1,2-a]fluorene, final yet unreported parent indenofluorene isomer, on various surfaces by cleavage two C-H bonds 7,12-dihydroindeno[1,2-a]fluorene through voltage pulses applied tip a combined scanning tunneling microscope atomic force...
I propose monoradical nanographenes without ${C}_{3}$ symmetry as building blocks to design two-dimensional carbon crystals. As representative examples study the honeycomb and kagome lattices, showing that by replacing sites with olympicene radicals band dispersion near Fermi energy corresponds, respectively, of Kekul\'e/anti-Kekul\'e graphene breathing tight-binding models. a consequence, finite islands these crystals present corner states close energy, just like parent In case graphene,...