Results 101 to 110 of about 11,576,305 (269)

Lone‐Pair‐Induced Lattice Distortion in Lead‐Free Hybrid Perovskites for High‐Performance Nanogenerators

Advanced Functional Materials, EarlyView.
A lead‐free tin‐based hybrid perovskite is designed in which stereochemically active lone‐pair electrons on tin distort the crystal lattice and break its symmetry. Blended into a flexible polymer, the material converts pressure into electricity at milliwatt‐scale power density and continues working far below freezing, powering a commercial wristwatch ...
Majid Haji Bagheri, Asif Abdullah Khan, Md Fahim Al Fattah, Mahmoud Almadhoun, Shamaila Shahzadi, Aixi Pan, Md Soyaeb Hasan, Henry Wu, Arash Aghigh, Bhawna Bhawna, François Légaré, Vivek Maheshwari, Dayan Ban   +12 more
wiley   +1 more source

Computational chemistry studies of carbohydrates, fullerenes and other systems: molecular mechanics modeling, molecular dynamics simulations and quantum chemical calculations

, 1993
Ce travail de thèse consiste tout d'abord en l'étude théorique par des méthodes ab initio (CASSCF, MRCI, Moeller-Plesset) ainsi que par la mécanique moléculaire et la dynamique moléculaire de radicaux aminoxyles allant du modèle le plus simple, H₂NO, à des structures plus complexes telles que des sucres marqués par un groupe aminoxyle.
openaire   +2 more sources

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

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

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

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

Reduced-order modeling on a near-term quantum computer

Quantum computing is an advancing area of research in which computer hardware and algorithms are developed to take advantage of quantum mechanical phenomena.
Steijl, Rene, Maulik, Romit, Asztalos, Katherine   +2 more
core   +1 more source

Design space exploration of instruction set customizable MPSoCs for multimedia applications

, 2010
10.1109/ICSAMOS.2010.5642070Proceedings - 2010 International Conference on Embedded Computer Systems: Architectures, Modeling and Simulation, IC-SAMOS 2010170 ...
Huynh Phung Huynh, Mitra, Tulika,, Mitra, T., Huynh, P., Chakraborty, S., Tulika Mitra, Bordoloi, Unmesh D.,, Huynh, Huynh P.,, Bordoloi, U.D., Unmesh D. Bordoloi, Samarjit Chakraborty, Chakraborty, Samarjit,   +11 more
core   +1 more source

Dynamic Observation of Lacy Pattern Formation in a Bone Tissue Model Using Liquid Phase Scanning Transmission Electron Microscopy

Advanced Functional Materials, EarlyView.
Here, we establish a low‐dose liquid‐phase electron microscopy workflow for real‐time observation of biological processes in hydrated conditions. Beam damage is reduced by imaging only 20% of the pixels and reconstructing the complete image using an inpainting algorithm.
Luco Rutten, Avital Wagner, Rona Roverts, Luco Buise, Ben Joosten, Anat Akiva, Elena Macías‐Sánchez, Nico Sommerdijk   +7 more
wiley   +1 more source

SchNet: A continuous-filter convolutional neural network for modeling quantum interactions [PDF]

, 2018
Deep learning has the potential to revolutionize quantum chemistry as it is ideally suited to learn representations for structured data and speed up the exploration of chemical space.
Chmiela, S., Tkatchenko, A., Schütt, K., Sauceda, H., Müller, K., Kindermans, P.   +5 more
core