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Local magnetism in graphene / transition metal oxide nanocomposites
Properties of graphene that make it an important material are its exceptionally high conductivity, massless fermions and a high velocity of electrons near the Dirac points.... -
In-situ reaction of lithium amide or imide with manganese(IV) oxide
We request 3 days beam time on POLARIS for in-situ powder diffraction studies of the reactions of lithium amide or lithium imide with manganese(IV) oxide under flowing argon or... -
INS Determination of the Surface Properties of Nanoparticle Pollutants
Metal oxide nanoparticles are a form of pollution generated by a number of industrial procedures, and there is evidence that this class of nanoparticle can have a detrimental... -
INS STUDY OF BIOCHAR AS SOLID ACID CATALYSTS
Pyrolysis is considered as a sustainable way to generate energy from bio-oil, however, biochar – a solid residue by-product– is inevitably produced in the production line. We... -
Pivotal role of intersite Hubbard interactions in Fe-doped α-MnO₂
We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped α-MnO₂ using density-functional theory with... -
Importance of intersite Hubbard interactions in β-MnO2: A first-principles DF...
We present a first-principles investigation of the structural, electronic, and magnetic properties of pyrolusite (β-MnO2) using conventional and extended Hubbard-corrected... -
Electronic structure and magnetism of pristine and Fe-doped α-MnO₂ from densi...
We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped α-MnO₂ using density-functional theory with...
