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Spin Proximity Effects in Graphene/Topological Insulator Heterostructures

Nano letters, 2018-03, Vol.18 (3), p.2033-2039

2018

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Siesta: Recent developments and applications

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204108-204108

2020

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Electronic Transport between Graphene Layers Covalently Connected by Carbon Nanotubes

ACS nano, 2010-12, Vol.4 (12), p.7596-7602

2010

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Growth of Twin-Free and Low-Doped Topological Insulators on BaF2(111)

Crystal growth & design, 2017-09, Vol.17 (9), p.4655-4660

2017

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Nanotexturing To Enhance Photoluminescent Response of Atomically Thin Indium Selenide with Highly Tunable Band Gap

Nano letters, 2016-05, Vol.16 (5), p.3221-3229

2016

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The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations

npj computational materials, 2022-02, Vol.8 (1), p.1-9, Article 28

2022

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Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters

Journal of chemical theory and computation, 2010-09, Vol.6 (9), p.2856-2865

2010

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Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach

The journal of physical chemistry. B, 2018-01, Vol.122 (2), p.485-492

2018

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Electronic properties of single-layer and multilayer transition metal dichalcogenides MX2 (M = Mo, W and X = S, Se)

Annalen der Physik, 2014-10, Vol.526 (9-10), p.347-357

2014

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Interference effects in one-dimensional moiré crystals

Carbon (New York), 2022-01, Vol.186, p.416-422

2022

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Magnetic properties of coordination clusters with {Mn} and {Co} antiferromagnetic cores

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (6), p.378-3787

2022

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A pre-time-zero spatiotemporal microscopy technique for the ultrasensitive determination of the thermal diffusivity of thin films

Review of scientific instruments, 2023-03, Vol.94 (3)

2023

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Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

2d materials, 2022-01, Vol.9 (1), p.15008

2022

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Basic aspects of the charge density wave instability of transition metal trichalcogenides NbSe3 and monoclinic-TaS3

Journal of physics. Condensed matter, 2021-12, Vol.33 (48)

2021

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Atomically Sharp Lateral Superlattice Heterojunctions Built‐In Nitrogen‐Doped Nanoporous Graphene

Advanced materials (Weinheim), 2022-05, Vol.34 (20), p.e2110099-n/a

2022

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Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal−Insulator Transition

ACS nano, 2010-07, Vol.4 (7), p.4033-4038

2010

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Electronic structure of 2H-NbSe2 single-layers in the CDW state

2d materials, 2016-09, Vol.3 (3)

2016

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Magnetoresistance and magnetic ordering fingerprints in hydrogenated graphene

Physical review letters, 2011-07, Vol.107 (1), p.016602-016602, Article 016602

2011

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First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

2d materials, 2018-03, Vol.5 (2)

2018

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TranSIESTA: A Spice for Molecular Electronics

Annals of the New York Academy of Sciences, 2003-12, Vol.1006 (1), p.212-226

2003

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Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric Electrodes

ACS nano, 2012-02, Vol.6 (2), p.1473-1478

2012

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Molecular modeling applied to corrosion inhibition: a critical review

Npj Materials degradation, 2024-07, Vol.8 (1), p.72-20, Article 72

2024

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Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals

Royal Society open science, 2023-04, Vol.10 (4), p.230063

2023

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Tuning the topological band gap of bismuthene with silicon-based substrates

JPhys materials, 2022-07, Vol.5 (3), p.35002

2022

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Device‐to‐Materials Pathway for Electron Traps Detection in Amorphous GeSe‐Based Selectors

Advanced electronic materials, 2023-04, Vol.9 (4), p.n/a

2023

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Spin Proximity Effects in Graphene/Topological Insulator Heterostructures

Siesta: Recent developments and applications

Electronic Transport between Graphene Layers Covalently Connected by Carbon Nanotubes

Growth of Twin-Free and Low-Doped Topological Insulators on BaF2(111)

Nanotexturing To Enhance Photoluminescent Response of Atomically Thin Indium Selenide with Highly Tunable Band Gap

The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations

Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters

Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach

Electronic properties of single-layer and multilayer transition metal dichalcogenides MX2 (M = Mo, W and X = S, Se)

Interference effects in one-dimensional moiré crystals

Magnetic properties of coordination clusters with {Mn} and {Co} antiferromagnetic cores

A pre-time-zero spatiotemporal microscopy technique for the ultrasensitive determination of the thermal diffusivity of thin films

Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

Basic aspects of the charge density wave instability of transition metal trichalcogenides NbSe3 and monoclinic-TaS3

Atomically Sharp Lateral Superlattice Heterojunctions Built‐In Nitrogen‐Doped Nanoporous Graphene

Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal−Insulator Transition

Electronic structure of 2H-NbSe2 single-layers in the CDW state

Magnetoresistance and magnetic ordering fingerprints in hydrogenated graphene

First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

TranSIESTA: A Spice for Molecular Electronics

Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric Electrodes

Molecular modeling applied to corrosion inhibition: a critical review

Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals

Tuning the topological band gap of bismuthene with silicon-based substrates

Device‐to‐Materials Pathway for Electron Traps Detection in Amorphous GeSe‐Based Selectors

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