Ab initio calculation for electronic structure and optical property of tungsten carbide in a TiCN-based cermet for solar thermal applications

Abstract

Abstract We present an ab initio calculation to understand electronic structures and optical properties of a tungsten carbide WC being a major component of a TiCN-based cermet. The TiCN-based cermet is widely used as a cutting tool, and is discarded as usual after use. On the other hand, cermet itself is also a famous ingredient of a solar absorption film. We found that the WC has a fairly low-energy plasma excitation $$\sim$$ ∼ 0.6 eV (2 $$\upmu$$ μ m) and therefore can be a good constituent of a solar selective absorber. The evaluated figure of merit for photothermal conversion is prominently high compared to those of the other materials included in the TiCN-based cermet. The imaginary part of the dielectric function is considerably small around the zero point of the real part of the dielectric function, corresponding to the plasma excitation energy. Therefore, a clear plasma edge appeared, ensuring the high performance of the WC as the solar absorber. This is a fascinating aspect, because the wasted TiCN-based cermet cutting tool can be recycled as the solar absorption film after proper treatments and modifications.