Publications associées à Ternary Oxides of s - and p -Block Metals for Photocatalytic Solar-to-Hydrogen Conversion

Publications associées (24)

Optical Spatial Dispersion Via Wannier Interpolation

We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at first order in the wave vector of light. This approach is more efficient than di ...

AMER PHYSICAL SOC2025

Advanced analysis of fully-printed organic transistors platform for multi-ion detection in sweat

Danick Briand, Silvia Demuru, Jaemin Kim, Xi Chen, Brince Paul Kunnel

Organic electrochemical transistors are emerging as prominent biochemical sensors for multi-sensing, including ions, metabolites, hormones, or viruses. However, the implementation of the devices is mainly limited to a single-analyte detection and a single- ...

Elsevier BV2025

Embedded cluster approach for accurate electronic structure calculations of 229Th:CaF2

Kjeld Adrianus Antonius Gerardus Beeks

Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is established as a promising material for solid-state nuclear cloc ...

AMER PHYSICAL SOC2025

First-principles Hubbard parameters with automated and reproducible workflows

Nicola Marzari, Sebastiaan Philippe Huber

We introduce an automated, flexible framework (aiida-hubbard) to self-consistently calculate Hubbard U and V parameters from first-principles. By leveraging density-functional perturbation theory, the computation of the Hubbard parameters is efficiently pa ...

Springer Science and Business Media LLC2025

Engineering Symmetry Breaking Interfaces by Nanoscale Structural-Energetics in Orthorhombic Perovskite Thin Films

Duncan Thomas Lindsay Alexander, Bernat Mundet

The atomic configuration of phases and their interfaces is fundamental to materials design and engineering. Here, we unveil a transition metal oxide interface, whose formation is driven by energetic influences─epitaxial tensile strain versus oxygen octahed ...

2025

Decoration of ZnO Nanorod Arrays with Heterojunction of Graphene Quantum Dots and MoS2 Nanoparticles for Photoelectrochemical Water Splitting

Mohammadreza Golobostanfard

Conversion of sunlight to a chemical fuel through photoelectrochemical (PEC) water splitting is deemed to be a promising solution to satisfy future energy needs. In this study, a photoanode based on the triple heterojunction of MoS2/graphene quantum dots/Z ...

2025

Metal Doping of Strongly Confined Halide Perovskite Nanocrystals under Ambient Conditions

Emad Oveisi, Aurélien Bornet, Pascal Alexander Schouwink, Sascha Feldmann, Tejas Deshpande, Zachary Andrew Vanorman

Halide perovskite nanocrystals are promising materials for optoelectronic applications. Metal doping provides an avenue to boost their performance further, e.g., by enhancing light emission, or to provide additional functionalities, such as nanoscale magne ...

American Chemical Society (ACS)2025

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface

Christian Wäckerlin

On-surface synthesis has become a prominent method for growing low-dimensional carbon-based nanomaterials on metal surfaces. However, the necessity of decoupling organic nanostructures from metal substrates to exploit their properties requires either trans ...

Wiley-VCH Verlag GmbH2024

Synergistic Integration of a Ru(bda)-Based Catalyst in a Covalent Organic Framework for Enhanced Photocatalytic Water Oxidation

Federico De Biasi

To address the urgent need for sustainable energy processes, there is a growing demand for multifunctional materials that mimic natural photosynthetic enzyme functions, specifically light-harvesting, efficient photoinduced charge separation, and integratio ...

2024

Towards Quantitative Terahertz Characterisation of Zinc Phosphide Thin Films for Photovoltaic Applications

Anna Fontcuberta i Morral, Jean-Baptiste Leran, Simon Robert Escobar Steinvall, Elias Zsolt Stutz, Rajrupa Paul, Mirjana Dimitrievska, Léa Buswell

The earth-abundant and non-toxic material Zinc phosphide (Zn3P2) is a promising candidate for solar cell applications. However, growth of defect-free, high-quality thin films on substrates that can integrate with current technology (e.g. silicon) remains c ...

IEEE Computer Society2024

Memristive Control of Plasmon-Mediated Nonlinear Photoluminescence in Au Nanowires

Konstantin Malchow

Nonlinear photoluminescence (N-PL) is a broadband photon emission arising from a nonequilibrium heated electron distribution generated at the surface of metallic nanostructures by ultrafast pulsed laser illumination. N-PL is sensitive to surface morphology ...

Amer Chemical Soc2024

Wearable Activity Trackers: A Survey on Utility, Privacy, and Security

Kavous Salehzadeh Niksirat

Over the past decade, wearable activity trackers (WATs) have become increasingly popular. However, despite many research studies in different fields (e.g. psychology, health, and design), few have sought to jointly examine the critical aspects of utility ( ...

Assoc Computing Machinery2024

Mobility Gaps of Hydrogenated Amorphous Silicon Related to Hydrogen Concentration and Its Influence on Electrical Performance

Nicolas Würsch, Jonathan Emanuel Thomet, Sylvain Dunand

This paper presents a comprehensive study of hydrogenated amorphous silicon (a-Si)-based detectors, utilizing electrical characterization, Raman spectroscopy, photoemission, and inverse photoemission techniques. The unique properties of a-Si have sparked i ...

2024

Boosting solar fuel production of bismuth ferrite thin film by incorporating reduced graphene oxide

Mohammadreza Golobostanfard

In this study, a facile chemical approach was utilized to successfully fabricate a porous bismuth ferrite (BiFeO3, BFO)/reduced graphene oxide (rGO) nanocomposite thin film as a photoanode for photoelec-trochemical (PEC) water splitting. The BFO nanopartic ...

2023

Trapping Layers Prevent Dopant Segregation and Enable Remote Doping of Templated Self-Assembled InGaAs Nanowires

Anna Fontcuberta i Morral, Didem Dede, Nicholas Paul Morgan, Valerio Piazza

Selective area epitaxy is a promising approach to definenanowirenetworks for topological quantum computing. However, it is challengingto concurrently engineer nanowire morphology, for carrier confinement,and precision doping, to tune carrier density. We re ...

AMER CHEMICAL SOC2023

New ultrahigh-speed device concepts: from THz nanoplasma devices to glass-like electronics for neuromorphic computation

Mohammad Samizadeh Nikooytabalvandani

There is a never-ending push for electronic systems to provide faster operation speeds, higher energy efficiencies, and higher power capabilities at smaller scales. These requirements are apparent in different areas of electronics, from radiofrequency (RF) ...

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

The science of soft robot design: A review of motivations, methods and enabling technologies

Josephine Anna Eleanor Hughes, Francesco Stella

Novel technologies, fabrication methods, controllers and computational methods are rapidly advancing the capabilities of soft robotics. This is creating the need for design techniques and methodologies that are suited for the multi-disciplinary nature of s ...

FRONTIERS MEDIA SA2023

Neuromorphic computing based on halide perovskites

Mohammad Khaja Nazeeruddin

Neuromorphic computing requires electronic systems that can perform massively parallel computational tasks with low energy consumption. Such systems have traditionally been based on complementary metal-oxide-semiconductor circuits, but further advances in ...

Nature Portfolio2023

New Technologies to Enhance the Figures-of-Merit of GaN Power Devices

Luca Nela

Gallium Nitride (GaN) has enabled groundbreaking developments in the field of optoelectronics and radio frequency communication. More recently, GaN devices for power conversion applications have demonstrated excellent potential. Thanks to Gallium Nitride w ...

EPFL2022