Hydrogen-Bonded Small Molecules and Polymers in Organic Electronics

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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 ...

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 ...

Dwindling fossil resources and their associated environmental concerns have increased interest in biobased products. In particular, many approaches to convert lignocellulosic biomass into small-molecule building blocks are being explored via thermal, chemi ...

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 ...

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Organic semiconductors (OSCs) have emerged as promising active layers for photoanodes to drive photoelectrochemical (PEC) oxidation reactions. Interfacing an OSC with an inorganic electron transport layer (ETL) is key to enabling both high performance and ...

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

Efficient and robust n-i-p perovskite solar cells necessitate superior organic hole-transport materials with both mechanical and electronic prowess. Deciphering the structure-property relationship of these materials is crucial for practical perovskite sola ...

Helicenes represent an important class of chiral organic material with promising optoelectronic properties. Hence, functionalization of surfaces with helicenes is a key step toward new organic materials devices. The deposition of a heterohelicene containin ...

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Materials with field-tunable polarization are of broad interest to condensed matter sciences and solid-state device technologies. Here, using hydrogen (H) donor doping, we modify the room temperature metallic phase of a perovskite nickelate NdNiO3 into an ...

Perovskite-based solar cells are currently the most rapidly advancing photovoltaic technology but concerns about their long-term stability are still impeding full-scale commercialization. This thesis provides computational insights into some of the stabili ...

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 ...

Utilization of small molecules as passivation materials for perovskite solar cells (PSCs) has gained significant attention recently, with hundreds of small molecules demonstrating passivation effects. In this study, a high-accuracy machine learning model i ...

The engineering of tin halide perovskites has led to the development of p-type transistors with field-effect mobilities of over 70 cm2 V-1 s-1. However, due to their background hole doping, these perovskites are not suitable for n-type transistors. Ambipol ...

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Perovskite solar cells (PSCs) have garnered significant attention within the photovoltaic research community due to their remarkable progress in just one decade. Among the device configurations, the p-i-n structured PSC offers several advantages, including ...

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 ...

Hydrogen-Bonded Small Molecules and Polymers in Organic Electronics

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Supramolecular Polymer Brushes Grafted via Atom Transfer Radical Polymerization from Surfaces Presenting Non-covalent, Host-Guest Complex-Based Initiators

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

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

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

Aldehyde-Stabilization Strategies for Building Biobased Consumer Products around Intact lignocellulosic Structures

Metal Doping of Strongly Confined Halide Perovskite Nanocrystals under Ambient Conditions

Chalcogen bonding catalysis

Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Durable Perovskite Solar Cells with 24.5% Average Efficiency: The Role of Rigid Conjugated Core in Molecular Semiconductors

Switching the on-surface orientation of oxygen-functionalized helicene

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Hydrogen-induced tunable remanent polarization in a perovskite nickelate

Computational Studies on the Stability of Organic-Inorganic Hybrid Halide Lead Perovskites

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

Machine Learning for Screening Small Molecules as Passivation Materials for Enhanced Perovskite Solar Cells

Strain relaxation and multidentate anchoring in n-type perovskite transistors and logic circuits

Green hydrogen production using Shewanella oneidensis MR-1 bioanode and cuprous oxide-based photocathode

Structural divergence of molecular hole selective materials for viable p-i-n perovskite photovoltaics: a comprehensive review

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