Concept

Solid solution

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Mg-3wt.%RE alloys show substantially enhanced < c + a > activity as compared to pure Mg or other Mg-Al, Mg-Zn alloys of similar grain sizes. Activation of < c + a > slip has been postulated to be associated with the reduction of the basal Li stacking fault ...

Pergamon-Elsevier Science Ltd2017

Functional Engineering of Perovskite Nanosheets: Impact of Lead Substitution on Exfoliation in the Solid Solution RbCa2-xPbxNb3O10

Teresa Katharina Dennenwaldt, Filip Mateusz Podjaski

Tuning the chemical composition and structure for targeted functionality in two-dimensional (2D) nanosheets has become a major objective in the rapidly growing area of 2D materials. In the context of photocatalysis, both miniaturization and extending the l ...

Wiley-V C H Verlag Gmbh2017

Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations

Berend Smit, Nicola Casati, Davide Tiana

The use of mixed-linker metal-organic frameworks (MIXMOFs) is one of the most effective strategies to modulate the physical-chemical properties of MOFs without affecting the overall crystal structure. In many instances, MIXMOFs have been recognized as soli ...

2017

Benzimidazolium salt-based solid-state electrolytes afford efficient quantum-dot sensitized solar cells

Paul Joseph Dyson, Zhaofu Fei, Zhangjun Huang, Yefeng Wang

A novel solid-state electrolyte based on 1,3-dihexylbenzimidazolium ([DHexBIm]) cations combined with Br-, BF4- or SCN- anions is used in CdS/CdSe sensitized quantum dot sensitized solar cells (QDSSCs). A power conversion efficiency of 4.26% was achieved w ...

Royal Soc Chemistry2017

Recrystallization behavior of multi-directionally forged over-aged and solution treated Al-Cu-Mg alloy during non-isothermal annealing

Roland Logé, Saeed Khani Moghanaki

The recrystallization behavior of an Al-Cu-Mg alloy is investigated in multi-directionally forged over-aged and solution treated alloys, during non-isothermal annealing. Deformation and non-isothermal annealing are performed with a Gleeble 3800 thermo-mech ...

Elsevier Sci Ltd2017

Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations

Pablo Miguel Piaggi, Michele Parrinello

Crystallization is a process of great practical relevance in which rare but crucial fluctuations lead to the formation of a solid phase starting from the liquid. As in all first order first transitions, there is an interplay between enthalpy and entropy. B ...

American Physical Society2017

Coupled 3D Dislocation Modeling at Nano- and Micro-Scales

Jaehyun Cho

The performance of crystalline materials varies depending on the considered scale. To understand the size dependence of materials properties, the interaction and evolution of defects are essential. As such, the role played by dislocations is crucial for mo ...

EPFL2017

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Random solid solution alloys are a broad class of materials that are used across the entire spectrum of engineering metals, whether as stand-alone materials (e.g. Al-57xxx alloys) or as the matrix in precipitate strengthening materials (e.g. Ni-based super ...

Elsevier2017

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Age hardening induced by the formation of (semi)-coherent precipitate phases is crucial for the processing and final properties of the widely used Al-6000 alloys. Early stages of precipitation are particularly important from the fundamental and technologic ...

Elsevier2017

The accuracy of GW in the determination of defect energy levels is assessed through calculations on a set of well-characterized point defects in semiconductors: the As antisite in GaAs, the substitutional Mg in GaN, the interstitial C in Si, the Si danglin ...

Amer Physical Soc2017