Publication

Defect energy levels in density functional calculations: Alignment and band gap problem

Related publications (31)

Unraveling the Effect of the Chemical and Structural Composition of ZnxNi1-xFe2O4 on the Electron Transfer at the Electrochemical Interface

In order to deepen the understanding of the role of transition metal oxides in electron transfer at the electrochemical interface, the performance of ZnxNi1-xFe2O4 (x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials in electrochemical sensing is studied. Nanomate ...

WILEY2023

Synthesis and Characterization of Functionalized Spacer Cations for the Incorporation in Layered Perovskites

Simon Nussbaum

Layered hybrid organic-inorganic perovskite (LHOIP) materials are an emerging class of semiconductors endorsed as a more stable alternative compared to the more widely investigated 3D hybrid organic-inorganic halide perovskites (HOIP). Consisting of altern ...

EPFL2023

In situ construction of graphdiyne based heterojunctions by a deprotection-free approach for photocatalytic hydrogen generation

Cong Wang, Jian Li

Graphdiyne (GDY) with a direct bandgap, high charge carrier mobility, and ordered pore structure, is considered an excellent matrix for the construction of heterojunction photocatalysts. However, the traditional fabrication methods for GDY-based heterojunc ...

Royal Society of Chemistry2023

Automated mixing of maximally localized Wannier functions into target manifolds

Nicola Marzari, Giovanni Pizzi, Junfeng Qiao

Maximally localized Wannier functions (MLWFs) are widely used in electronic-structure calculations. We have recently developed automated approaches to generate MLWFs that represent natural tight-binding sets of atomic-like orbitals; these describe accurate ...

Nature Portfolio2023

Investigation of thermoelectric nanomaterials

David Thomas Osenberg

Thermoelectric conversion remains an active research field in light of its potential to enhance energy efficiency by waste heat recovery in a noise and wear-free manner. Nanostructuring is responsible for most of the recently reported improvements of the ...

EPFL2023

Switching losses in power devices: From dynamic on resistance to output capacitance hysteresis

Elison de Nazareth Matioli, Armin Jafari, Palliyage Srilak Nirmana Perera, Remco Franciscus Peter van Erp, Hongkeng Zhu

In this paper, we review some of the main methods to characterize on-state and off-state losses in wide-band-gap devices under switching conditions. In the off-state, we will discuss about losses related to charging and discharging the output capacitance i ...

IEEE2023

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Tailoring Organic/Inorganic Interface Trap States of Metal Oxide/Polyimide toward Improved Vacuum Surface Insulation

Chao Wang, Guang-Yu Sun, Haoxiang Zhao

High-voltage and high-power devices are indispensablein spacecraftfor outer space explorations, whose operations require aerospace materialswith adequate vacuum surface insulation performance. Despite persistentattempts to fabricate such materials, current ...

AMER CHEMICAL SOC2023

Sub-kHz-Linewidth External-Cavity Laser (ECL) With Si3N4 Resonator Used as a Tunable Pump for a Kerr Frequency Comb

Tobias Kippenberg, Junqiu Liu

Combining optical gain in direct-bandgap III-V materials with tunable optical feedback offered by advanced photonic integrated circuits is key to chip-scale external-cavity lasers (ECL), offering wideband tunability along with low optical linewidths. Exter ...

IEEE Institute of Electrical and Electronics Engineers2023

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

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

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

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023