J. Étourneau
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View article: A themed issue dedicated to professor John B. Goodenough
A themed issue dedicated to professor John B. Goodenough Open
This Special Issue of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.Goodenough re…
View article: Novel (super)hard SiCN from crystal chemistry and first principles
Novel (super)hard SiCN from crystal chemistry and first principles Open
The purpose of this work is to predict the existence of novel equiatomic SiCN based on tetragonal C6 structure (“glitter”), the elementary building unit being the 1,4 cyclohexadiene molecule comprising both tetrahedral (sp3) and trigonal (…
View article: In Honor of John Bannister Goodenough, an Outstanding Visionary
In Honor of John Bannister Goodenough, an Outstanding Visionary Open
John B [...]
View article: Tricarbon: two novel ultra-hard metallic carbon allotropes from first-principle calculations
Tricarbon: two novel ultra-hard metallic carbon allotropes from first-principle calculations Open
Based on crystal chemistry considerations and quantum density functional theory ground state calculations, rhombohedral rh-C3 and hexagonal h-C6 carbon allotropes are proposed and energetically calculated as new stable ultra-hard phases li…
View article: Electronic and Magnetic Structures of New Interstitial Boron Sub-Oxides B12O2:X (X = B, C, N, O)
Electronic and Magnetic Structures of New Interstitial Boron Sub-Oxides B12O2:X (X = B, C, N, O) Open
The boron-rich boron sub-oxide rhombohedral B6O considered in B12O2 full formulation has a large O-O spacing of ~3 Å and a central vacant position that can receive interstitial atoms X, forming a central O-X-O alignment in the dodecaboron …