142 citations · 144 across the 5 of their papers we have counts for
5 papers
Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskites
Un-Gi Jong, Chol-Jun Yu, Gum-Chol Ri +4
The use of methylammonium (MA) lead halide perovskites \ce{CH3NH3PbX3} (X=I, Br, Cl) in perovskite solar cells (PSCs) has made great progress in performance efficiency during recen…
Cotunnite-structured titanium dioxide: the hardest known oxide
L. S. Dubrovinsky, N. A. Dubrovinskaia, V. Swamy +4
Despite great technological importance and many investigations, a material with measured hardness comparable to that of diamond or cubic boron nitride has yet to be identified. Com…
Modelling spin qubits in carbon peapods
Ling Ge, Barbara Montanari, John H. Jefferson +3
We have calculated electron spin interactions in chains of Sc@C82 endohedral fullerenes in isolation and inserted into a semiconducting or metallic single-walled carbon nanotube to…
A Defective Graphene Phase Predicted to be a Room Temperature Ferromagnetic Semiconductor
L. Pisani, B. Montanari, N. M. Harrison
Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state a…
The Electronic Structure of CaCuO From the B3LYP Hybrid Functional
Xiao-Bing Feng, N. M. Harrison
The electronic structure of the infinite layer compound CaCuO has been calculated with the B3LYP hybrid density functional. The mixing of the Hartree-Fock exchange in the excha…