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In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage...
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate... -
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage...
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate... -
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage...
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate... -
Structures and magnetism of chemical and electrochemical deintercalates of la...
We propose to use OSIRIS to investigate the changes in magnetic ordering which occur when a series of layered oxysulfides with mixed-valent Mn ions in their oxide layers are... -
[Mg/62Ni]6Al2(OD)16CO3 606
This dataset has no description
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Order-disorder and phase transitions in the LiFeO2 cathode materials
Despite the importance of the LiFeO2 phases as cathode materials in lithium ion batteries, little is known about their crystal structures, except that they should be based on... -
Correlation of structures, compositions and magnetism of copper-deficient lay...
This experiment will investigate three related systems which contain copper deficient anti-fluorite-type copper sulfide layers. The overall aim is to correlate magnetic and... -
Structures and magnetism of layered cobalt oxide selenide tellurides
This proposal aims to exploit the high resolution of HRPD and OSIRIS to probe the structures of the solid solution Ba2CoO2Cu2(Te1-xSex)2. The compound Ba2CoO2Cu2Te2 shows... -
The dynamics of water and terephthalate in layered double hydroxide clay
In this proposal we would like to study the dynamics of interlayer species in hydrotalcite clay: (a) water and (b) terephthalate anions. In the case of water, the aim is to... -
Correlation of structure and magnetic ordering with composition in layered co...
We propose to use OSIRIS to determine the magnetic structures of a series of cobalt oxysulfides containing Co in square planar coordination. Several compositions... -
Non-uniform elastic deformation of layered crystal structures
The experiment will resolve a discrepancy between earlier experiments carried out very recently by us and work elsewhere on the hydrostatic compression of a series of 211... -
Evolving structures of oxysulfide battery materials
This proposal aims to investigate the evolution of the structures of layered oxysulfide materials which show promise as lithium ion battery electrodes. The lithiation of... -
Structural distortions and magnetism in the layered oxide sulfide Sr2MnO2Cu1.5S2
This proposal aims to exploit the superior flux on the upgraded HRPD coupled with the intrinsic high resolution to correlate the magnetic structure and the crystal structure of... -
Correlation of structure and magnetic ordering with composition in layered co...
We propose to use HRPD to determine the detailed structures of a series of cobalt oxysulfides containing Co in square planar coordination. Two compositions Sr2CoO2Cu2-deltaS2... -
Non-uniform elastic deformation of layered crystal structures
The aim of the experiment is to determine the relative compressibility of the structural layers in three 211 MAX phases (Ti2AlC, Ta2AlC and Cr2AlC) using the PEARL-HiPr beam... -
Correlation of structures, compositions and magnetism of copper-deficient lay...
This is part of a larger experiment which will investigate three related systems which contain copper deficient anti-fluorite-type copper sulfide layers. The overall aim is to... -
Neutron powder diffraction studies of layered rock salts LiCo0.1Mn0.1Ni0.8O2 ...
Neutron powder diffraction studies of layered rock salts LiCo0.1Mn0.1Ni0.8O2 and LiCo0.1Mn0.1Ni0.8O2-d -
Hysteresis in the deformation of layered crystal structures
The aim of this proposal is to study the origin of the hysteresis effect in many layered crystal structures, in particular MAX-phases, such as Ti2AlC. This effect has been... -
[Mg/*Ni]6Al2(OD)16CO3 618
This dataset has no description
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Structures and magnetism of chemical and electrochemical deintercalates of la...
We propose to use POLARIS to perform two related experiments. Firstly we will investigate the structures and compositions of derivatives of some layered Mn/Cu oxysulfides which...
