Homogenizing the Electron Extraction via Eliminating Low‐Conductive Contacts Enables Efficient Perovskite Solar Cells with Reduced Up‐Scaling Losses
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202316591
Abstract: Maintaining the power conversion efficiency (PCE) of perovskite solar cells (PSCs) while enlarging the active area is necessary for their industrialization, where the key part is the uniform carrier extraction. Here, a conformal electron transport… read more here.
Keywords: electron extraction; mathrm; extraction; mathrm mathrm ... See more keywords
Origin of the High‐Rate Energy Storage for Vacancy‐Rich Chalcogenides: Reinforced d‐p Orbital Hybridization Induced by Strain Field
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202508406
Abstract: The atomic‐level structure manipulation toward transition metal chalcogenides (TMCs) is a promising route to promote the kinetics and rate capability in hybrid supercapacitors (HSCs). Nevertheless, the mechanism of such a strategy remains ambiguous, which inhibits… read more here.
Keywords: mathrm; high rate; orbital hybridization; mathrm mathrm ... See more keywords
Atomistic Compositional Details and Their Importance for Spin Qubits in Isotope‐Purified Silicon Quantum Wells
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DOI: 10.1002/advs.202407442
Abstract: Understanding crystal characteristics down to the atomistic level increasingly emerges as a crucial insight for creating solid state platforms for qubits with reproducible and homogeneous properties. Here, isotope concentration depth profiles in a SiGe/28Si/SiGe heterostructure… read more here.
Keywords: mathrm; sige 28si; umu mathrm; spin ... See more keywords
pK a prediction in non‐aqueous solvents
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DOI: 10.1002/jcc.27517
Abstract: Acid dissociation constants ( pKa$$ \mathrm{p}{K}_{\mathrm{a}} $$ ) are widely measured and studied, most typically in water. Comparatively few datasets and models for non‐aqueous pKa$$ \mathrm{p}{K}_{\mathrm{a}} $$ values exist. In this work, we demonstrate how… read more here.
Keywords: non aqueous; aqueous solvents; mathrm; prediction non ... See more keywords
Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model
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DOI: 10.1002/jcc.70166
Abstract: Hydrogen bonds are essential chemical interactions that occur in various systems, playing a critical role in determining molecular structures, dynamics, and reactivity. While quantum chemical methods such as Quantum Theory of Atoms in Molecules (QTAIM)… read more here.
Keywords: chemistry; hydrogen bonds; mathrm; model ... See more keywords
Leveraging the Bias‐Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet‐Triplet Gap Predictions: A Case for Double‐Hybrid DFT
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DOI: 10.1002/jcc.70228
Abstract: Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state ( S1$$ {\mathrm{S}}_1 $$ ) energetically below the triplet state ( T1$$ {\mathrm{T}}_1 $$ ), are rare. Yet, they… read more here.
Keywords: chemistry; variance; double hybrid; mathrm ... See more keywords
Aromaticity of Substituted Benzene Derivatives Employing a New Set of Aromaticity Descriptors Based on the Partition of Electron Density
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70257
Abstract: Aromatic compounds represent about two‐thirds of known molecules. Despite that, aromaticity still lacks a precise definition, leading to the use of various descriptors to quantify it. In this work, we employ a new set of… read more here.
Keywords: mathrm; left mathrm; mathrm mathrm; aromaticity ... See more keywords
Prediction of MRI R2*$$ {\mathrm{R}}_2^{\ast } $$ relaxometry in the presence of hepatic steatosis by Monte Carlo simulations
Sign Up to like & getrecommendations! Published in 2024 at "NMR in Biomedicine"
DOI: 10.1002/nbm.5274
Abstract: To develop Monte Carlo simulations to predict the relationship of R2*$$ {\mathrm{R}}_2^{\ast } $$ with liver fat content at 1.5 T and 3.0 T. For various fat fractions (FFs) from 1% to 25%, four types… read more here.
Keywords: mathrm ast; carlo simulations; mathrm; model ... See more keywords
Polyacrylamide Gel Calibration Phantoms for Quantification in Sodium MRI
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DOI: 10.1002/nbm.70056
Abstract: Quantitative sodium (23Na) MRI utilises a signal calibration approach to derive maps of total sodium concentration (TSC). Agarose gel vials are often used as calibration phantoms, but as a naturally occurring substance, agarose may exhibit… read more here.
Keywords: quantification; sodium; mathrm; 23na mri ... See more keywords
Investigation of the Effect of Isotonic Drinks on Quantitative MRI Markers of the Liver and Spleen
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DOI: 10.1002/nbm.70156
Abstract: Quantitative MRI markers of the liver are attractive diagnostic tools of metabolic dysfunction‐associated steatotic liver disease (MASLD). However, T1$$ {\mathrm{T}}_1 $$ measurements are confounded by physiological factors, such as hydration. The aim of this study… read more here.
Keywords: isotonic drinks; quantitative mri; mri; mri markers ... See more keywords
The relationship between mean wind speed and net radiation reveals the coupling strength of the stable boundary layer
Sign Up to like & getrecommendations! Published in 2025 at "Quarterly Journal of the Royal Meteorological Society"
DOI: 10.1002/qj.5059
Abstract: Data from 88 Oklahoma Mesonet stations and one micrometeorological tower in southern Brazil show a consistent relationship between mean wind speed V$$ V $$ and net radiation Rn$$ {R}_{\mathrm{n}} $$ in the stable boundary layer… read more here.
Keywords: mathrm; mid mathrm; mathrm mid; wind speed ... See more keywords