Publications associées à Valence and conduction band tuning in halide perovskites for solar cell applications

Publications associées (45)

Solar photons beyond the band gap wavelengths: their effect on solution-processed solar cells

A deep understanding of how solution-processed solar cells (SSCs) perform under varying temperatures and irradiance is crucial for their optimal design, synthesis, and use. However, current partial spectral characterization, primarily below the band gap wa ...

Royal Society of Chemistry2025

Optical Spatial Dispersion Via Wannier Interpolation

Stepan Tsirkin

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

Lagnet: Better Electron Density Prediction for Lcao-based Data and Drug-like Substances

Egor Rumiantsev

The electron density is an important object in quantum chemistry that is crucial for many downstream tasks in drug design. Recent deep learning approaches predict the electron density around a molecule from atom types and atom positions. Most of these meth ...

BMC2025

Localized Tunneling 1D Perovskitoid Passivated Contacts for Efficient and Stable Perovskite Solar Modules

Mohammad Khaja Nazeeruddin, Yong Ding, Kai Zhang

Interface engineering has proven to be an effective approach for passivating interfacial imperfections to mitigate non-radiative recombination, but the subpar interface quality between the perovskite and the charge transport layer has hindered advancements ...

2025

Texture-enhanced Mechanical Stability of Transparent Electrodes for Flexible Optoelectronics with Near-infrared Response

Simon Baptiste Rieckhoff

Transparent electrodes with high conductivity and mechanical robustness are essential for flexible opto-electronic applications. Indium tin oxide (ITO) single layers have long been considered as unsuitable for flexible applications due to their brittleness ...

WILEY2025

Optical assessment of lignin-containing nanocellulose films under extended sunlight exposure

Tiffany Abitbol

This study investigates the stability and UV-blocking properties of cellulose nanofibril (CNF) and TEMPO-oxidized cellulose nanofibril (TOCNF) films, with and without lignin, under 1000 h of artificial sunlight. The literature to date provides no quantitat ...

SPRINGER2025

High-Efficiency Carbon Perovskite Solar Cells via Cathode Interface Engineering by using CuPc Hole-Transporting Layers

Mohammad Khaja Nazeeruddin

Carbon perovskite solar cells (C-PSCs) represent a promising photovoltaic (PV) technology that addresses the long-term operating stability needed to compete with commercial Si solar cells. However, the poor interface contacts between the carbon electrode a ...

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

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

Spin polarization detection via chirality-induced tunnelling currents in indium selenide

Shun Feng, Andras Kis, Gabriele Pasquale, Eloi Régis L Collette

Chirality, a basic property of symmetry breaking, is crucial for fields such as biology and physics. Recent advances in the study of chiral systems have stimulated interest in the discovery of symmetry-breaking states that enable exotic phenomena such as s ...

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

Realizing Uniform Defect Passivation via Self‐Polymerization of Benzenesulfonate Molecules in Perovskite Photovoltaics

Michael Graetzel, Likai Zheng, Mingyang Wei, Xiaoqing Jiang

Realizing high‐quality perovskite films through uniform defect passivation and crystallization control is pivotal to unlocking the potential of scalable applications. However, prevalent small‐molecule additives are inherently susceptible to the crystalliza ...

Wiley2025

Valence and Site Engineering Enable Efficient Broadband Near‐Infrared Emission at 960 nm in Cr3+‐Activated Forsterite

Jean-Claude Bünzli

Near‐infrared (NIR) light sources hold great potential for applications in night vision illumination, bio‐imaging, and non‐destructive testing. However, radiationless de‐activation and low absorption restrict the development of high‐efficiency blue light e ...

Wiley2025

Microstructural and electrical characterization of high temperature passivating contacts for silicon solar cells

Sofia Libraro

Recombination at metal/semiconductor interfaces represents the main limitation in mainstream c-Si solar cells, primarily based on the passivated emitter and rear cell (PERC) concept. Full-area passivating contacts based on SiOx/poly-Si stacks are a candida ...

EPFL2024

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

Modulation of Graphene Oxidation Using Substrate-Induced Electron-Hole Puddles for Advancing Molecular Separation

Kumar Varoon Agrawal, Shiqi Huang, Heng-Yu Chi, Kuang-Jung Hsu, Yueqing Shen, Ranadip Goswami

Tuning the reactivity of graphene enables molecular-level engineering of the lattice, achieving desired chemical and structural properties through functionalization, doping, and etching. Atom-thin graphene film hosting Å-scale pores, with capability to dif ...

2025

A comprehensive physical model for the sensitivity of silicon heterojunction photovoltaic modules to water ingress

Christophe Ballif, Alessandro Francesco Aldo Virtuani, Luca Gnocchi, Olatz Arriaga Arruti

Silicon heterojunction (SHJ)-solar modules-when encapsulated with ethylene vinyl acetate (EVA)-are known to be extremely sensitive to water ingress. The reason for this is, however, not clear. Here, we explain the root causes of this degradation mechanism ...

Cell Press2024

Enhancing Efficiency of Industrially-Compatible Monolithic Perovskite/Silicon Tandem Solar Cells with Dually-Mixed Self-Assembled Monolayers

Mohammad Khaja Nazeeruddin, Peng Gao

The antisolvent-assisted spin-coating still lags behind the thermal evaporation method in fabricating perovskite films atop industrially textured silicon wafers in making monolithic perovskite/silicon solar cells (P/S-TSCs). The inhomogeneity of hole-selec ...

Wiley-V C H Verlag Gmbh2024

A thermotropic liquid crystal enables efficient and stable perovskite solar modules

Mohammad Khaja Nazeeruddin, Bin Ding, Yong Ding

Perovskite solar cells have seen impressive progress in performance and stability, yet maintaining efficiency while scaling area remains a challenge. Here we find that additives commonly used to passivate large-area perovskite films often co-precipitate du ...

Nature Portfolio2024

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