Results 151 to 160 of about 1,226,452 (264)

Modelling Thermal Halide Exchange of Perovskite Powders With and Without BMIMBF4 From an Interdiffusion Perspective

Advanced Functional Materials, EarlyView.
Halide diffusion limits the stability of hybrid halide perovskites for optoelectronic applications and thus needs to be quantified. This study presents an effective interdiffusion model to obtain time‐dependent diffusion coefficients for I− and Br− diffusion from in situ X‐ray diffraction data during the formation of a solid solution MAPbIxBr3‐x from ...
Tobias Siegert, Prerna Pahwa, Markus Griesbach, Frank‐Julian Kahle, Harald Oberhofer, Anna Köhler, Helen Grüninger   +6 more
wiley   +1 more source

NN-VRCTST: Neural Network Potentials Meet Variable Reaction Coordinate Transition State Theory for the Rate Constant Determination of Barrierless Reactions. [PDF]

J Chem Theory Comput
Vari S, de Falco C, Cavallotti C.
europepmc   +1 more source

Comments on the interaction between theory and experiment in high energy physics

, 1990
M. Derrick
openalex   +1 more source

Large Anomalous and Topological Hall Effect and Nernst Effect in a Dirac Kagome Magnet Fe3Ge

Advanced Functional Materials, EarlyView.
Fe3Ge, a Kagome‐lattice magnet, exhibits remarkable anomalous Hall and Nernst effects, with transverse thermoelectric conductivity surpassing or comaprable to some well‐known ferromagnets. First‐principles calculations attribute these to Berry curvature from massive Dirac gaps. Additionally, topological Hall and Nernst signals emerge from field‐induced
Chunqiang Xu, Shuvankar Gupta, Hengxin Tan, Hyeonhu Bae, Olajumoke Oluwatobiloba Emmanuel, Mingyu Xu, Yan Wu, Xiaofeng Xu, Pengpeng Zhang, Weiwei Xie, Binghai Yan, Xianglin Ke   +11 more
wiley   +1 more source

Quantum computation of the electronic structure of some prototype solids. [PDF]

Sci Rep
Khandelwal N, Verma N, Jamdagni P, Kumar A.   +3 more
europepmc   +1 more source

Dynamical theory of high energy electron diffraction. Physical optics approach.

Nihon Kessho Gakkaishi, 1987
openaire   +2 more sources

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Insight into the electronic, optical, and thermoelectric properties of novel ternary chalcohalides: next-generation energy applications. [PDF]

RSC Adv
Khan MS, Binzowaimil AM, Stampfl C, Fakhera F, Conquest OJ, Al-Hmoud M, Aziz SM.   +6 more
europepmc   +1 more source

Magnetic‐Field Dependent VB− Spin Decoherence in Hexagonal Boron Nitrides: A First‐Principles Study

Advanced Functional Materials, EarlyView.
This study investigates the decoherence of the VB− defect in h‐BN under external magnetic fields using first‐principles quantum many‐body simulations. A transition boundary distinguishing distinct decoherence regimes is identified, with its dependence on isotopic composition.
Jaewook Lee, Hyeonsu Kim, Huijin Park, Hosung Seo   +3 more
wiley   +1 more source

Unveiling GaN Prismatic Edge Dislocations at the Atomic Scale via P-N Theory Combined with DFT. [PDF]

Materials (Basel)
Peng L, Huang L, Chen S, Huang C, Wang R, Li M.   +5 more
europepmc   +1 more source