We evaluate the effects of high pressure during annealing on the structural and superconducting properties of Ag-doped FeSe bulks. The results obtained in this work indicate that the annealing at high pressure increases the critical temperature, upper critical field and irreversibility field due to the improved uniformity and grain connectivity.
New energy storage technologies that can serve as a reliable alternative to lithium-ion batteries are in the spotlight. Particular attention has been recently devoted to magnesium-ion systems due to the considerable abundance of this element and also due to its promising electro-chemical performance. Our results show that monolayer black phosphorene doped by B, Sc, Co, and Cu atoms possesses good structural stability with the minimal cohesive energy of $$-5.563$$ eV/atom, the adsorption energy per Mg atom ranging from $$-1.229$$ to $$-1.357$$ eV, and the charge transfer from double-side adsorbed single Mg-ions to the B-substituted phosphorene increased by $$\sim$$ 0.21 $$e^-$$ in comparison with pristine phosphorene. The present work demonstrates a potential path for future improvements of phosphorus-based anode materials for Mg-ion rechargeable batteries which were evaluated using first-principles density-functional theory calculations.
1 December 2014 in Journal of Alloys and Compounds