Publications associées à Anderson's rule

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Electrical and Optical Manifestations of Flat Band Physics in Van der Waals Materials

Gabriele Pasquale

The scientific progress is significantly transforming contemporary society with the introduction and widespread application of technologies like artificial intelligence and quantum computing. Despite their profound impact, these technologies necessitate en ...

EPFL2024

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

Gabriel Aeppli, Nicolò D'Anna

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

Foldable Hole-Transporting Materials for Merging Electronic States between Defective and Perfect Perovskite Sites

Mohammad Khaja Nazeeruddin, Paul Joseph Dyson, Jianxing Xia, Kasparas Rakstys, Yi Zhang, Hiroyuki Kanda, Keith Gregory Brooks, Ruiyuan Hu, Qurat Ul Ain

Defective and perfect sites naturally exist within electronic semiconductors, and considerable efforts to reduce defects to improve the performance of electronic devices, especially in hybrid organic-inorganic perovskites (ABX(3)), are undertaken. Herein, ...

Wiley-V C H Verlag Gmbh2023

Electrical detection of the flat-band dispersion in van der Waals field-effect structures

Andras Kis, Oleg Yazyev, Fedele Tagarelli, Edoardo Lopriore, Kristians Cernevics, Zhe Sun, Gabriele Pasquale

Two-dimensional flat-band systems have recently attracted considerable interest due to the rich physics unveiled by emergent phenomena and correlated electronic states at van Hove singularities. However, the difficulties in electrically detecting the flat- ...

2023

Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor

Juliette Veronique Schleicher, Ganna Gryn'ova

Heteroatom-doped polyaromatic hydrocarbons (or nanographenes) are promising molecular electrocatalysts for the oxygen reduction reaction (ORR). Here, we use density functional theory to investigate the first step of the ORR pathway (chemisorption) for a se ...

AMER CHEMICAL SOC2023

Modelling electronic transport in monocrystalline metal oxide gas sensors: from the surface kinetics to the experimental response

Roberto Guarino, Gianluca Piccinini

Gas sensing systems and devices based on metal oxides are widely spreading due to their high performance in terms of sensor response and relatively low costs. Despite several experimental studies, as well as molecular simulations, are available in the lite ...

2022

Electronic properties and ion migration of “in vacuo” lithiated nanoporous WO3:Mo thin films

Andreas Schueler, Josef Andreas Schuler, Luc Burnier, Jérémy Jacques Antonin Fleury

Electrochromic (EC) glazing helps manage daylight and solar heat gains in building, thereby allowing a reduction in energy consumption caused by heating, cooling, and artificial lighting. This study relates the optical and electronic properties of nanoporo ...

2022

Electrical Spectroscopy of Defect States in Synthetic 2D Materials

Yanfei Zhao

Two-dimensional (2D) materials such as graphene and transition metal dichalcogenide (TMDC) are considered as one of the most promising material platforms for future electronic devices, due to their ultra-thin thickness and fascinating electrical and optica ...

EPFL2022

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Alfredo Pasquarello, Aleksei Tal, Haiyuan Wang, Patrick Gono, Thomas Bischoff

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

NATURE PORTFOLIO2022