Alloying of monolayer Zirconium Nitride with Magnesium and investigating its thermoelectric properties using DFT calculations

Effects of stresses on the thermoelectric properties of In4Se3

“…This value is calculated using the formula ZT = S 2 sT/(k L + k e ), where S, s, T, k L , and k e represent the Seebeck coefficient, electrical conductivity, absolute temperature, and lattice and electronic thermal conductivity, respectively. [5][6][7][8][9][10] In the medium temperature range, layered In 4 Se 3 emerges as a promising n-type thermoelectric material, showing a unique layered crystal structure. This structure instigates the development of charge density waves (CDWs) and Peierls lattice distortions within the layer planes.…”

“…This value is calculated using the formula ZT = S 2 σT /( k L + k e ), where S , σ , T , k L , and k e represent the Seebeck coefficient, electrical conductivity, absolute temperature, and lattice and electronic thermal conductivity, respectively. 5–10…”

Effect of alloying Li on lithium-ion batteries applicability of two-dimensional TiN and TiC as novel electrode materials: a first principle study

“…Plus, the largest value of electrical conductivity per relaxation time at 300 K belongs to Li 0.25 Ti 0.75 C with a value of 9.8 × 10 19 /( m s).Transition metal nitrides and carbides are favorable to researchers for many years because of their special properties like resistance to oxidation and corrosion, high hardness, and incompressibility which could make them excellent candidates for many industries like hard coating industries [1][2][3][4][5][6][7][8][9][10] . Recently, along with the unique features of this group of compounds, various applications in the field of energy storage have been predicted for them; and due to the benefit of environmentally friendly modality, they could be excellent for clean energy proposes [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27] . Since these compounds typically represent metallic behavior they could be good choices for electrode materials in energy storage industries.…”

“…Since these compounds typically represent metallic behavior they could be good choices for electrode materials in energy storage industries. Furthermore, alloying them with elements like magnesium could give them semiconductor properties that can be used as a scatter area for some energy-saving applications like the thermoelectric, supercapacitor, Li-ion batteries, and solar energy industries 8,12,14,15 .Recently, Zhang et al 3 worked on Cellulose nanofibrils/AlN experimentally and reached a high thermal conductivity of more than 4.2 W/m.K for managing the heat in energy storage devices.Moreover, Gao et al 28 studied the effect of alloying Ni on supercapacitance properties of CrN using the arc ion plating method and they got accessed to the value of 58.5 mF/cm 2 for the specific capacitance at 1 mA/cm 2 for 54.2% presence of Ni and H 2 SO 4 was used as an electrolyte material; and this value was 80 times higher than for the pure CrN.Wei et al 29 experimentally worked on VN pillared with Al atoms for the purpose of sodium-ion batteries applications and they achieved specific capacitance with the value of 372 mAh/g at 50 mA/g and an energy density of 78.43 Wh/Kg at the power density of 260 W/Kg.…”

“…Since these compounds typically represent metallic behavior they could be good choices for electrode materials in energy storage industries. Furthermore, alloying them with elements like magnesium could give them semiconductor properties that can be used as a scatter area for some energy-saving applications like the thermoelectric, supercapacitor, Li-ion batteries, and solar energy industries 8,12,14,15 .…”