Results 101 to 110 of about 449,097 (372)

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

open access: yesAdvanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer   +12 more
wiley   +1 more source

Optical properties of gold nanoclusters constructed from Au13 units

open access: yesAggregate, Volume 3, Issue 6, December 2022., 2022
This review summarizes various optical properties of gold nanoclusters that consist of Au13 motifs. The structural evolution from Au13 to Au25, Au37, and Au60 is illustrated with increasing number of the Au13 building blocks. The review on the photo‐physics of Au13 family provides a comprehensive understanding of Au13‐assembled nanoclusters, which is ...
Jie Kong   +3 more
wiley   +1 more source

Stabilizing Cobalt‐free Li‐rich Layered Oxide Cathodes through Oxygen Lattice Regulation by Two‐phase Ru Doping

open access: yesAngewandte Chemie, Volume 135, Issue 5, January 26, 2023., 2023
This work comprehensively studies the mechanistic behaviour of cobalt‐free Li1.2Ni0.2Mn0.6O2 and demonstrates the positive impact of two‐phase Ru doping on voltage decay using the combination of in operando and post‐mortem synchrotron analyses. A mechanistic transition from a C2/c phase to a R m phase is reported for the first time.
Yameng Fan   +13 more
wiley   +2 more sources

The first mononuclear PtIII complex. Molecular structures of (NBu4)[PtIII(C6Cl5)4] and of its parent compound {NBu4}2[PtII(C6Cl5)4]·2CH2Cl2 [PDF]

open access: yes, 1984
(NBu4)[PtIII(C6Cl5)4], fully characterized by crystallographic, spectral, and magnetic measurements has been isolated by oxidation with halogens or TICl3 of the parent compound (NBu4)2[PtII(C6CL5)4], which has also been analysed by X-ray ...
Bau, Robert   +5 more
core   +1 more source

Effects of Ce-Modified TiN Inclusions on the Fatigue Properties of Gear Steel 20CrMnTi

open access: yesCrystals, 2023
In this paper, the results of a study on the influences of different morphologies, types, and sizes of inclusions on the fatigue lives of 20CrMnTi are reported.
Jian Wang   +5 more
doaj   +1 more source

On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy [PDF]

open access: yesarXiv, 2023
We review well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires ...
arxiv  

Microscopic plasticity and damage in two-phase steels: on the competing role of crystallography and phase contrast [PDF]

open access: yesMechanics of Materials, 2016, 101:147-159, 2016
This paper unravels micromechanical aspects of metallic materials whose microstructure comprises grains of two or more phases. The local plastic response is determined by (i) the relative misorientation of the slip systems of individual grains, and (ii) the different mechanical properties of the phases.
arxiv   +1 more source

Enhanced Electromechanical Response in 1D Hybrid Perovskites: Coexistence of Normal and Relaxor Ferroelectric Phases

open access: yesAdvanced Functional Materials, EarlyView.
The dynamic polarization reversal of coexisting normal and relaxor ferroelectrics in 1D TMAPbI₃ (tetramethylammonium, TMA) is deciphered through combined experimental and theoretical approaches. By bridging atomic‐scale motion, macroscopic polarization switching, and depolarization effects, a universal methodology is established to engineer next ...
Chen Xue   +8 more
wiley   +1 more source

Fourier-Space Crystallography as Group Cohomology

open access: yes, 2001
We reformulate Fourier-space crystallography in the language of cohomology of groups. Once the problem is understood as a classification of linear functions on the lattice, restricted by a particular group relation, and identified by gauge transformation,
A. Bienenstock   +24 more
core   +1 more source

Namdinator – automatic molecular dynamics flexible fitting of structural models into cryo-EM and crystallography experimental maps

open access: yesIUCrJ, 2019
Model building into experimental maps is a key element of structural biology, but can be both time consuming and error prone for low-resolution maps.
Rune Thomas Kidmose   +5 more
doaj   +1 more source

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