2021
DOI: 10.1016/j.nanoen.2020.105518
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Tailoring nanostructured NbCoSn-based thermoelectric materials via crystallization of an amorphous precursor

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Cited by 26 publications
(25 citation statements)
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“…In contrast to the majority spin channel, the minority spin channel shows increased DOS at the bottom of the conduction band and the top of the valence band. The changes of the DOS due to excessive Co obtained in the current work are consistent with those reported in ref . Besides, it is noteworthy that the Co antisite defects are not energetically favorable, of which the formation energy is about 2 eV higher than that of the Co interstitials …”
Section: Resultssupporting
confidence: 92%
See 2 more Smart Citations
“…In contrast to the majority spin channel, the minority spin channel shows increased DOS at the bottom of the conduction band and the top of the valence band. The changes of the DOS due to excessive Co obtained in the current work are consistent with those reported in ref . Besides, it is noteworthy that the Co antisite defects are not energetically favorable, of which the formation energy is about 2 eV higher than that of the Co interstitials …”
Section: Resultssupporting
confidence: 92%
“…The changes of the DOS due to excessive Co obtained in the current work are consistent with those reported in ref . Besides, it is noteworthy that the Co antisite defects are not energetically favorable, of which the formation energy is about 2 eV higher than that of the Co interstitials …”
Section: Resultssupporting
confidence: 92%
See 1 more Smart Citation
“…Note that in the present study, we have chosen only one extra atom as defect at the interstitial site of the considered supercell. Choosing higher number of interstitial defects in theoretical simulations usually lead to the formation of cluster of defects, which may alter the predicted band-gap value and carrier concentration [64,104,120]. Hence, interstitial defects must be selected carefully in theoretical simulations in these and similar half-Heusler alloys in order to explain the experimental observation of band gap, carrier concentration, and type of electrical conductivity.…”
Section: B Electronic Band Structure and Density Of Statesmentioning
confidence: 99%
“…It is widely used in the fields of electronic communication and aerospace. Because of its small size, high reliability and non-polluting advantages, it has shown great application potentials in the fields of waste heat recovery and self-supplying [4][5][6][7].Therefore, TE materials have become a hot spot in the field of materials science and condensed matter physics.…”
Section: Introductionmentioning
confidence: 99%