Influences of interlayer distance and cobalt oxidation state on superconductivity of NaxCoO2

2004 ◽  
Vol 412-414 ◽  
pp. 14-20 ◽  
Author(s):  
Kazunori Takada ◽  
Hiroya Sakurai ◽  
Eiji Takayama-Muromachi ◽  
Fujio Izumi ◽  
Ruben A. Dilanian ◽  
...  
Keyword(s):  
Oxidation State ◽  
Interlayer Distance ◽  
Cobalt Oxidation

Methanol Decomposition on Co(0001): Influence of the Cobalt Oxidation State on Reactivity

2019 ◽  
Vol 123 (14) ◽  
pp. 9139-9145 ◽  
Author(s):  
Jun Chen ◽  
Qing Guo ◽  
Jiawei Wu ◽  
Wenshao Yang ◽  
Dongxu Dai ◽  
...  
Keyword(s):  
Oxidation State ◽  
Methanol Decomposition ◽  
Cobalt Oxidation

scholarly journals Superconductivity and cobalt oxidation state in metastableNaxCoO2−δ∙yH2O(x≈1∕3;y≈4x)

2005 ◽  
Vol 72 (13) ◽  
Author(s):  
P. Barnes ◽  
M. Avdeev ◽  
J. Jorgensen ◽  
D. Hinks ◽  
H. Claus ◽  
...  
Keyword(s):  
Oxidation State ◽  
Cobalt Oxidation

Nickel and Cobalt Oxidation State Evolution at Ni-Rich NMC Cathode Surfaces during Treatment

2020 ◽  
Vol 124 (30) ◽  
pp. 16508-16514
Author(s):  
James L. White ◽  
Forrest S. Gittleson ◽  
Mark Homer ◽  
Farid El Gabaly
Keyword(s):  
Oxidation State ◽  
State Evolution ◽  
Cobalt Oxidation

scholarly journals Methanol oxidation over model cobalt catalysts: Influence of the cobalt oxidation state on the reactivity

2010 ◽  
Vol 269 (2) ◽  
pp. 309-317 ◽  
Author(s):  
S. Zafeiratos ◽  
T. Dintzer ◽  
D. Teschner ◽  
R. Blume ◽  
M. Hävecker ◽  
...  
Keyword(s):  
Oxidation State ◽  
Methanol Oxidation ◽  
Cobalt Catalysts ◽  
Cobalt Oxidation

Chromium oxidation state mapping in human cells

2003 ◽  
Vol 104 ◽  
pp. 289-292 ◽  
Author(s):  
R. Ortega ◽  
B. Fayard ◽  
M. Salomé ◽  
G. Devès ◽  
J. Susini
Keyword(s):  
Oxidation State ◽  
Human Cells ◽  
Chromium Oxidation

Efficient Prediction of Structural and Electronic Properties of Hybrid 2D Materials Using DFT and Machine Learning

2018 ◽  
Author(s):  
Sherif Tawfik ◽  
Olexandr Isayev ◽  
Catherine Stampfl ◽  
Joseph Shapter ◽  
David Winkler ◽  
...  
Keyword(s):  
Machine Learning ◽  
Band Gap ◽  
Density Functional ◽  
2D Materials ◽  
Van Der Waals ◽  
Building Blocks ◽  
Machine Learning Techniques ◽  
Interlayer Distance ◽  
Computational Screening ◽  
Wide Range

Materials constructed from different van der Waals two-dimensional (2D) heterostructures offer a wide range of benefits, but these systems have been little studied because of their experimental and computational complextiy, and because of the very large number of possible combinations of 2D building blocks. The simulation of the interface between two different 2D materials is computationally challenging due to the lattice mismatch problem, which sometimes necessitates the creation of very large simulation cells for performing density-functional theory (DFT) calculations. Here we use a combination of DFT, linear regression and machine learning techniques in order to rapidly determine the interlayer distance between two different 2D heterostructures that are stacked in a bilayer heterostructure, as well as the band gap of the bilayer. Our work provides an excellent proof of concept by quickly and accurately predicting a structural property (the interlayer distance) and an electronic property (the band gap) for a large number of hybrid 2D materials. This work paves the way for rapid computational screening of the vast parameter space of van der Waals heterostructures to identify new hybrid materials with useful and interesting properties.

A Short Synthesis of (+)-Brefeldin C via Enantioselective Radical Hydroalkynylation

2019 ◽  
Author(s):  
Lars Gnägi ◽  
Severin Vital Martz ◽  
Daniel Meyer ◽  
Robin Marc Schärer ◽  
Philippe Renaud
Keyword(s):  
Total Synthesis ◽  
Natural Product ◽  
Oxidation State ◽  
Single Step ◽  
Radical Process ◽  
Target Molecule ◽  
Short Synthesis ◽  
The One

<div><div><div><div><p>A very concise total synthesis of (+)-brefeldin C starting from 2-furanylcyclopentene is described. This approach is based on an unprecedented enantioselective radical hydroalkynylation process to introduce the two cyclopentane stereocenters in a single step. The use of a furan substituent allows to achieve a high trans diastereoselectivity during the radical process and it contains the four carbon atoms C1–C4 of the natural product in an oxidation state closely related to the one of the target molecule. The eight-step synthesis require six product purifications and it provides (+)-brefeldin C in 18% overall yield.</p></div></div></div></div>

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