First-principles study of the structural, optoelectronic and thermophysical properties of the π-SnSe for thermoelectric applications

• Muhammad Atif Sattar,
• Najwa Al Bouzieh,
• Maamar Benkraouda and
• Noureddine Amrane

Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82

• is exceptionally promising for the next generation of photovoltaic and thermoelectric devices at room and high temperatures. Keywords: density functional theory (DFT); electronic properties; lattice thermal conductivity; optical properties; thermodynamic properties; thermoelectric properties; tin

• conductivity, thermal conductivity, electronic thermal conductivity, lattice thermal conductivity, and absolute temperature, respectively [5]. The bottleneck that limits the extensive use of TE materials is their relatively low value of ZT. The close interdependency of the three entities S, σ, and κtot offer

• the power factor (PF = S2σ) which is connected with the electrical transport [8][9] and the lowest value of κtot [10]. To date, a considerable amount of research has been performed to enhance the ZT value. For instance, by lowering the value of the lattice thermal conductivity (through all-scale

Improvement of the thermoelectric properties of a MoO₃ monolayer through oxygen vacancies

• Wenwen Zheng,
• Wei Cao,
• Ziyu Wang,
• Huixiong Deng,
• Jing Shi and
• Rui Xiong

Beilstein J. Nanotechnol. 2019, 10, 2031–2038, doi:10.3762/bjnano.10.199

• × 3 × 1 supercell): top and side views. (b) The electronic band structure and (c) the phonon dispersion of the MoO3 monolayer along the high-symmetry path. (d) The lattice thermal conductivity, κph, of the MoO3 monolayer along different directions as a function of temperature. Transport and

Organic and inorganic–organic thin film structures by molecular layer deposition: A review

• Pia Sundberg and
• Maarit Karppinen

Beilstein J. Nanotechnol. 2014, 5, 1104–1136, doi:10.3762/bjnano.5.123