Kazuaki Kobayashi

TL;DR: In this article, the authors report a porous architecture containing irregularly shaped and randomly oriented pores, scattering a wide spectrum of phonons without employing the conventional rattling phenomenon, which yields >100% enhancement in ZT, as compared to the pristine sample.

TL;DR: In this article, an improved quality criterion of bismuth telluride upon chromium substitution was reported, which indicated that taking advantage of such relatively easily implemented magnetic doping effects along with existing strategies can lead to enhanced efficiency of thermoelectric materials.

TL;DR: In this article, the first-principles molecular dynamics method was used to investigate transition metal nitride (TMN) surfaces by using the first principle molecular dynamics (FPDM) method.

TL;DR: In this article, the thermoelectric properties of a magnetic semi-conductor CuFeS2 were investigated using first-principles calculation techniques based on density functional theory and the nonequilibrium Green's function formalism.

TL;DR: In this article, the first-principles molecular dynamics (FPMD) method was used to analyze the surface of transition metal carbides (TiC, ZrC, NbC, HfC and TaC(001)-1×1) with a non-linear core correction.