Publications related to The electronic structure of the cis-bis(4,4'-dicarboxy-2,2'-bipyridine)-bis(isothiocyanato)ruthenium(II) complex and its ligand 2,2'-bipyridyl-4,4'-dicarboxylic acid studied with electron spectroscopy

Momentum-Space Imaging of Ultra-Thin Electron Liquids in δ-Doped Silicon

Two-dimensional dopant layers (δ-layers) in semiconductors provide the high-mobility electron liquids (2DELs) needed for nanoscale quantum-electronic devices. Key parameters such as carrier densities, effective masses, and confinement thicknesses for 2DELs ...

WILEY2023

Benzodithiophene‐Based Spacers for Layered and Quasi‐Layered Lead Halide Perovskite Solar Cells

Kevin Sivula, Jun Ho Yum, Mounir Driss Mensi, Liang Yao, Nestor Guijarro Carratala, Han-Hee Cho, Barbara Alexandra Primera Darwich, Luc Emile Monnier

Incorporating extended pi-conjugated organic cations in layered lead halide perovskites is a recent trend promising to merge the fields of organic semiconductors and lead halide perovskites. Herein, we integrate benzodithiophene (BDT) into Ruddlesden–Poppe ...

2021

Correlating chemical and electronic states from quantitative photoemission electron microscopy of transition-metal dichalcogenide heterostructures

Andras Kis, Dumitru Dumcenco, Olivier Renault, Dmitrii Unuchek, Hokwon Kim, Nicolas Chevalier

Vertical heterostructures of MoS2 and WSe2 layers are studied by spectroscopic photoemission electron microscopy as an effective technique for correlating chemical and electronic states at the micrometer scale. Element-specific, surface-sensitive images re ...

2021

Interaction of Confined Polaritons in Microcavity Structures

Morteza Navadeh Toupchi

A polariton is a quasiparticle formed from the coupling of a confined photon in a cavity to electronic excitation, like exciton in a semiconductor. This dissertation reports on series of experiments in confined polariton interaction by design, fabrication, ...

EPFL2021

FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Kun-Han Lin

We present a fragment-based decomposition analysis tool (FB-ECDA) for the electronic coupling of charge transfer processes. This tool provides insight on the sophisticated relationship between molecular packing, electronic coupling, and the molecular trans ...

AMER CHEMICAL SOC2020

Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces

Zhendong Guo

We conduct a detailed investigation of defects in two representative amorphous oxides: amorphous Al2O3 (am-Al2O3) and TiO2 (am-TiO2), by combining ab initio molecular dynamics (MD) simulations and hybrid functional calculations. Our results indicate that o ...

EPFL2019

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

A Self-Assembled Organic/Metal Junction for Water Photo-Oxidation

Hubert Girault, Natalia Gasilova, Astrid Johana Olaya Avendano, Victor Costa Bassetto, Jonnathan Cesar Hidalgo Acosta, Julieta Soledad Riva, Terumasa Omatsu

We report the in situ self-assembly of TTF, TTF•+, and BF4 − or PF6 − into p-type semiconductors on the surface of Pt microparticles dispersed in water/acetonitrile mixtures. The visible light photoactivation of these selfassemblies leads to water oxidatio ...

2019

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Alfredo Pasquarello, Assil Bouzid

We show that constant-Fermi-level ab initio molecular dynamics can be used as a computer-based tool to reveal and control relevant defects in semiconductor materials. In this scheme, the Fermi level can be set at any position within the band gap during the ...

Amer Physical Soc2017

Valence Level Character in a Mixed Perovskite Material and Determination of the Valence Band Maximum from Photoelectron Spectroscopy: Variation with Photon Energy

Ulf Anders Hagfeldt, Juan-Pablo Correa-Baena, Tor Jesper Jacobsson

A better understanding of the electronic structure of perovskite materials used in photovoltaic devices is essential for their development and optimization. In this investigation, synchrotron-based photoelectron spectroscopy (PES) was used to experimentall ...

American Chemical Society2017

The electronic structure of the cis-bis(4,4'-dicarboxy-2,2'-bipyridine)-bis(isothiocyanato)ruthenium(II) complex and its ligand 2,2'-bipyridyl-4,4'-dicarboxylic acid studied with electron spectroscopy

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Momentum-Space Imaging of Ultra-Thin Electron Liquids in δ-Doped Silicon

Benzodithiophene‐Based Spacers for Layered and Quasi‐Layered Lead Halide Perovskite Solar Cells

Correlating chemical and electronic states from quantitative photoemission electron microscopy of transition-metal dichalcogenide heterostructures

Interaction of Confined Polaritons in Microcavity Structures

FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

A Self-Assembled Organic/Metal Junction for Water Photo-Oxidation

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Valence Level Character in a Mixed Perovskite Material and Determination of the Valence Band Maximum from Photoelectron Spectroscopy: Variation with Photon Energy

Momentum-Space Imaging of Ultra-Thin Electron Liquids in δ-Doped Silicon

FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Benzodithiophene‐Based Spacers for Layered and Quasi‐Layered Lead Halide Perovskite Solar Cells

Interaction of Confined Polaritons in Microcavity Structures

Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces

Correlating chemical and electronic states from quantitative photoemission electron microscopy of transition-metal dichalcogenide heterostructures

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

A Self-Assembled Organic/Metal Junction for Water Photo-Oxidation

Valence Level Character in a Mixed Perovskite Material and Determination of the Valence Band Maximum from Photoelectron Spectroscopy: Variation with Photon Energy

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs