Enhancing thermoelectric properties of MCoSb-based alloys by entropy-driven energy-filtering effects and band engineering

High-entropy materials for thermoelectric applications: towards performance and reliability

“…Several strategies have been implemented to improve TE performance (ZT), with a particular emphasis on reducing k L by decoupling the electron and phonon transport. [98][99][100] This includes hierarchical architectures, [67][68][69] band structure engineering, 16,101 nano-structuring, [102][103][104][105] energy filtering, [106][107][108] and exploring materials possessing intrinsically low k. 11 A recent addition to the array of promising strategies is the high-entropy approach, which has garnered significant attention in solving the interdependence of TE properties. 39 The entropy-driven approach can be adopted to modify the electronic/thermal transport properties of a material and to maintain the crystal symmetry to achieve high a.…”

“…170 Chen et al introduced an innovative approach to decouple a and s through the entropy-driven concepts. 171 This method relies on band engineering and takes advantage of the energyfiltering effect, by which the entropy-induced quantum confinement effect is harnessed to selectively filter lowenergy electrons (Fig. 6A 1 ).…”

“…6A 3 . 171 Rabin et al synthesized MNiSn (M = Ti, Zr, and Hf), a HE-HH alloy, with Al and Sc added to the M sub-lattice. 172 The obtained ZT of (Ti 0.33 Zr 0.33 Hf 0.33 Al 0.005 Sc 0.005 )NiSn was found to be around ∼0.77 at 750 K; when compared to (Ti 0.3 Zr 0.35 Hf 0.35 )NiSn without Al and Sc, it shows an improvement of about 40% higher.…”

“…Temperature dependence of (a 2 ) S, (a 3 ) ZT, and (a 4 ) ZT max of medium-and HEHHs. Reproduced with permission 171. r 2023 Elsevier Ltd. (B) (b 1 ) The schematic illustration of the double half-Heusler structure, Temperature dependence of (b 2 ) PF and (e 3 ) ZT of sintered Ti 2 Zr 2 Hf 2 NbVFe 5 Ni 3 Sb 8 HEM compared with conventional HH Ti 2 FeNiSb 2 .…”

Ab initio investigation of tunable CO2 reduction reaction on the two dimensional ferroelectric Y2CO2

“…[16][17][18][19] Ferroelectric materials such as perovskites, MXenes, and In 2 Se 3 have been investigated experimentally and computationally for various reactions, including water splitting, oxygen reduction reaction (ORR), 20 nitrogen reduction reaction (NRR), 21 CO 2 RR, 22 and others. [23][24][25][26][27] Two dimensional (2D) materials are also attractive as photocatalysts owing to their increased surface area and active sites, short bulk to surface distance which prevents charge carrier recombination, and tunable band gaps. 28,29 In particular, the family of 2D MXenes has recently gained attention as a possible family for use as CO 2 RR catalysts.…”