biostudies-literatureUnknown9(44)Zhong QZn(Cd)Se and Zn(Cd)Te are well known for their excellent photoelectric performance, however, their thermoelectric (TE) properties are usually ignored. By taking advantage of first-principles calculations, the Boltzmann transport equation and semiclassical analysis, we executed a series of thermal and electronic transport investigations on these materials. Our results show that CdSe has the lowest anisotropic thermal conductivity, κ L, of the four materials, at 4.70 W m-1 K-1 (c axis) and 3.85 W m-1 K-1 (a axis) at a temperature of 300 K. Inspired by the very low lattice conductivity, other thermoelectric parameters were calculated in the following research. At a temperature of 1200 K we obtained a pretty large poweRSC advances25471-25479https://www.ebi.ac.uk/biostudies/studies/S-EPMC9070002biostudies-literatureThe excellent TE performance of photoelectric material CdSe along with a study of Zn(Cd)Se and Zn(Cd)Te based on first-principles.PMC9070002Liu JZhong QMeng SDai ZZhao YfalseThe excellent TE performance of photoelectric material CdSe along with a study of Zn(Cd)Se and Zn(Cd)Te based on first-principles.Zn(Cd)Se and Zn(Cd)Te are well known for their excellent photoelectric performance, however, their thermoelectric (TE) properties are usually ignored. By taking advantage of first-principles calculations, the Boltzmann transport equation and semiclassical analysis, we executed a series of thermal and electronic transport investigations on these materials. Our results show that CdSe has the lowest anisotropic thermal conductivity, κ L, of the four materials, at 4.70 W m-1 K-1 (c axis) and 3.85 W m-1 K-1 (a axis) at a temperature of 300 K. Inspired by the very low lattice conductivity, other thermoelectric parameters were calculated in the following research. At a temperature of 1200 K we obtained a pretty large powe2019-01-01T00:00:00Z2019 Aug2025-04-18T15:44:34.676Z2025-02-19T04:21:15.029ZS-EPMC90700023553005310.1039/c9ra04748d