Results 91 to 100 of about 1,061,074 (328)
, 2012 One of the stumbling blocks for studying the evolution of interstellar molecules is the lack of adequate knowledge of the rate co-efficients of various reactions which take place in the Interstellar medium and molecular clouds.
Ankan Das +16 more
core +1 more source
Advanced Functional Materials, EarlyView.A spin group (SG)‐based mechanism is proposed to realize a single pair of Weyl points. PT‐symmetric nodal lines (NLs) persist under T‐breaking, protected by the combination of SG and P symmetry. When considering spin‐orbit coupling, the SG‐protected NL will split into Weyl points, which will also induce anomalous transport phenomena arising from ...
Shifeng Qian +6 more
wiley +1 more source
Современная наука и инновацииAs part of this work, a computer quantum chemical simulation of the interaction of magnesium phosphate with essential amino acids was carried out in order to determine the optimal stabilizer for Mg3(PO4)2 nanoparticles.
A. A. Blinova +5 more
doaj +1 more source
Synchrotron Radiation for Quantum Technology
Advanced Functional Materials, EarlyView.Materials and interfaces underpin quantum technologies, with synchrotron and FEL methods key to understanding and optimizing them. Advances span superconducting and semiconducting qubits, 2D materials, and topological systems, where strain, defects, and interfaces govern performance.
Oliver Rader +10 more
wiley +1 more source
Quantum chemical modeling of alkane 2D monolayer formation on graphene
JCIS OpenThe paper presents a quantum chemical approach for assessment of the thermodynamic parameters of association for alkanes CnH2n+2 (n = 6–14) and polyaromatic hydrocarbons (PAH) of the coronene series as model structures of the graphene surface within the ...
E.S. Kartashynska
doaj +1 more source
From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals
, 2005 We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical interactions in
E. B. Tadmor +6 more
core +1 more source
Advanced Functional Materials, EarlyView.This study demonstrates an alternative method of creating charge‐stable negatively charged nitrogen vacancy (NV−) centers close to the diamond surface without high‐temperature annealing. By illuminating nitrogen‐implanted regions with a continuous‐wave 405 nm laser, NV− centers are induced, exhibiting electron spin coherence properties suitable for ...
Jens Fuhrmann +4 more
wiley +1 more source
Advanced Functional Materials, EarlyView.HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida +16 more
wiley +1 more source
Article Establishment of the structure of hydrate-solvate complexes of iodine extracted from model aqueous solutions in the system I2 – NaCl – Н2О – tributylphosphate /isooctane [PDF]
Известия Саратовского университета. Новая серия: Серия Химия. Биология. ЭкологияThe equilibrium parameters of the extraction of iodine from aqueous model solutions of various compositions have been determined and the infl uence of the background mineralization of the raffi nate has been revealed.
ponomareva, polina Александровна +1 more
doaj +1 more source