Results 101 to 110 of about 40,239 (260)

Reaction‐Time pH Stabilization by Poly(acrylic acid) with Ethanol‐Mediated Growth Control for Efficient Hydrothermal Sb2(S,Se)3 Solar Cells

Advanced Functional Materials, EarlyView.
Poly(acrylic acid) acts as a reaction‐time pH buffer during hydrothermal Sb2(S,Se)3 growth through its COOH/COO‐ equilibrium. When combined with ethanol‐regulated growth, this buffering strategy reduces Sb‐O related surface disorder, improves local electronic uniformity and carrier collection, and increases the champion solar‐cell efficiency to 10.25%,
Juhee Lee, Geumha Lim, Wookyung Jeon, Seongju Park, Jinwoo Chu, Yohan Yoon, William Jo, Byungha Shin   +7 more
wiley   +1 more source

Preface from the Guest Editor of Special Issue "Quantum-Chemical Modeling and Design of Chelate and Macrocyclic Metal Complexes". [PDF]

Int J Mol Sci, 2020
Mikhailov OV.
europepmc   +1 more source

Defect‐Mediated Inelastic Light Scattering by Infrared Phonons in Hexagonal Boron Nitride

Advanced Functional Materials, EarlyView.
Optically active defects in hexagonal boron nitride enable inelastic stimulated light scattering mediated by infrared‐active phonons, relaxing conventional Raman selection rules. Defect engineering enhances the Stokes‐conversion process and activates both TO‐ and LO‐phonon scattering channels.
Prabhdeep Singh, Bharti Garg, Maximilian Black, Masoud Taleb, Nahid Talebi   +4 more
wiley   +1 more source

Study of separate stages of In3+ extraction using quantum chemical modeling method: an initiation stage

Тонкие химические технологии, 2011
Quantum chemical modeling of some processes, occurring upon extraction of rare and trace elements by organophosphorus acids, was performed. The initial state of a metal cation in the aqueous phase and of the extractant in a non-polar solvent is ...
P. P. Kochetkov, V. V. Yegorova, Yu. M. Glubokov, A. V. Krylov   +3 more
doaj  

Synthesis, Structure, and Biological Activity of the Germanium Dioxide Complex Compound with 2-Amino-3-Hydroxybutanoic Acid

Inorganics
Currently, a promising direction of study is the use of biologically active coordination compounds in the pharmacopoeia and the creation of effective bactericidal drugs, biomaterials, and enzyme modulators on that basis.
Alena V. Kadomtseva, Georgy M. Mochalov, Maria A. Zasovskaya, Anatoly M. Ob’edkov   +3 more
doaj   +1 more source

Role of Structural Disorder on Phonon Transport and Thermal Conductivity in Li6PS5Br

Advanced Functional Materials, EarlyView.
Solid electrolytes are fast ion and slow heat conductors. Although both transport properties are governed by lattice dynamics and atomic structure, their interplay remains poorly understood. Here, we study this interrelation in anion‐ordered and disordered Li6PS5Br.
Lukas Ketter, Ryoma Sasaki, Kyra Strotmann, Wolfgang G. Zeier, Yoshitaka Tateyama   +4 more
wiley   +1 more source

DFT Quantum-Chemical Modeling Molecular Structures of Cobalt Macrocyclic Complexes with Porphyrazine or Its Benzo-Derivatives and Two Oxygen Acido Ligands. [PDF]

Int J Mol Sci, 2020
Mikhailov OV, Chachkov DV.
europepmc   +1 more source

Managing Charge Transport and Exciton Generation for Highly Efficient, Bright, and Stable Near‐Infrared Organic Radical Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
High‐performing near‐infrared (NIR) organic light‐emitting diodes are demonstrated using an efficient and stable 800 nm‐emissive organic radical and a thermally activated delayed fluorescence (TADF) host. TADF‐assisted exciton generation combined with improved charge transport enables high external quantum efficiency (>8%), high radiance (>70,000 mW sr−
Hwan‐Hee Cho, Min‐Hsuan Chang, Yi‐Syun Chen, Tetsuro Kusamoto, Emrys W. Evans, Yuh‐Renn Wu, Richard H. Friend   +6 more
wiley   +1 more source

Chemical potential and variable number of particles control the quantum state: Quantum oscillators as a showcase

APL Quantum
Despite their simplicity, quantum harmonic oscillators are ubiquitous in the modeling of physical systems. They are able to capture universal properties that serve as references for the more complex systems found in nature.
Benedikt M. Reible, Ana Djurdjevac, Luigi Delle Site   +2 more
doaj   +1 more source

The catalytic effect of graphene oxide with varying degrees of oxidation with respect to the water dissociation reaction on bipolar membranes

Chimica Techno Acta
The article presents the results of a study on the catalytic activity in the water dissociation reaction and the chemical structure of oxidized graphene samples with various degrees of oxidation.
Denis Bondarev, Alexander Bespalov, Victor Zabolotsky   +2 more
doaj   +1 more source