Synthesis, Structure, and Thermoelectric Properties of the New Antimonide Sulfide MoSb2S

Abstract

The structure of a new ternary compound, MoSb 2 S, was identified by single-crystal X-ray diffraction. The title compound was synthesized by heating the elements in stoichiometric ratios in sealed silica tubes at 600−800°C using small amounts of I 2 as a mineralizator. The compound crystallizes in a new structure type in the monoclinic space group C2/m [a = 36.157(3) Å , b = 6.3823(5) Å , c = 6.5379(5) Å , β =

Band Gap Tuning in New Strontium Seleno-Stannates

“…ICOHP values differ from MOP values in their sign (negative ICOHP values indicate bonding character) and units (electronvolts per bond vs electrons per bond). As demonstrated before, ,, the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units). The Se−Se bonds exhibit rather large ICOHP values, namely, −2.66 eV for the 239 pm bond, and −2.53 eV for the 240 pm bond, indicative of strong bonding character.…”

Band Gap Tuning in New Strontium Seleno-Stannates

“…ICOHP values differ from MOP values in their sign (negative ICOHP values indicate bonding character) and units (electronvolts per bond vs electrons per bond). As demonstrated before, ,, the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units). The Se−Se bonds exhibit rather large ICOHP values, namely, −2.66 eV for the 239 pm bond, and −2.53 eV for the 240 pm bond, indicative of strong bonding character.…”

Synthesis, Structure, and Physical Properties of Mixed Valent Mo2SbS2, the First Superconducting Antimonide-Sulfide

“…Each Mo1 atom is coordinated by three Sb and three S atoms in a distorted octahedral site ( d Mo - Sb = 2.83, 2.88 Å; d Mo - S = 2.40, 2.37 Å). Such a layered building block is also present in the structures of MoSb 2 X (X = S, Se). , The short Mo1−Mo1 distances are essentially the same as those in MoSb 2 S ( d Mo - Mo = 2.77 Å), thus shorter than those in Mo 2 S 3 ( d Mo - Mo = 2.85 Å). A structural comparison of β-MoTe 2 , Mo 2 SbS 2 , and MoSb 2 S 9 is given in Figure .…”

Crystal and electronic structure of the red semiconductor Ba4LaSbGe3Se13 comprising the complex anion [Ge2Se7–Sb2Se4–Ge2Se7]14−

“…ICOHP values differ from MOP values in their sign (i.e., negative values indicate bonding character) and units (eV per bond vs. electrons per bond). As demonstrated before [38][39][40], the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units).…”

Band Gap Tuning in New Strontium Seleno-Stannates

“…ICOHP values differ from MOP values in their sign (negative ICOHP values indicate bonding character) and units (electronvolts per bond vs electrons per bond). As demonstrated before, ,, the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units). The Se−Se bonds exhibit rather large ICOHP values, namely, −2.66 eV for the 239 pm bond, and −2.53 eV for the 240 pm bond, indicative of strong bonding character.…”

Synthesis, Structure, and Physical Properties of Mixed Valent Mo2SbS2, the First Superconducting Antimonide-Sulfide

“…Each Mo1 atom is coordinated by three Sb and three S atoms in a distorted octahedral site ( d Mo - Sb = 2.83, 2.88 Å; d Mo - S = 2.40, 2.37 Å). Such a layered building block is also present in the structures of MoSb 2 X (X = S, Se). , The short Mo1−Mo1 distances are essentially the same as those in MoSb 2 S ( d Mo - Mo = 2.77 Å), thus shorter than those in Mo 2 S 3 ( d Mo - Mo = 2.85 Å). A structural comparison of β-MoTe 2 , Mo 2 SbS 2 , and MoSb 2 S 9 is given in Figure .…”

Crystal and electronic structure of the red semiconductor Ba4LaSbGe3Se13 comprising the complex anion [Ge2Se7–Sb2Se4–Ge2Se7]14−

“…ICOHP values differ from MOP values in their sign (i.e., negative values indicate bonding character) and units (eV per bond vs. electrons per bond). As demonstrated before [38][39][40], the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units).…”

Band Gap Tuning in New Strontium Seleno-Stannates

“…ICOHP values differ from MOP values in their sign (negative ICOHP values indicate bonding character) and units (electronvolts per bond vs electrons per bond). As demonstrated before, ,, the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units). The Se−Se bonds exhibit rather large ICOHP values, namely, −2.66 eV for the 239 pm bond, and −2.53 eV for the 240 pm bond, indicative of strong bonding character.…”

Synthesis, Structure, and Physical Properties of Mixed Valent Mo2SbS2, the First Superconducting Antimonide-Sulfide

“…Each Mo1 atom is coordinated by three Sb and three S atoms in a distorted octahedral site ( d Mo - Sb = 2.83, 2.88 Å; d Mo - S = 2.40, 2.37 Å). Such a layered building block is also present in the structures of MoSb 2 X (X = S, Se). , The short Mo1−Mo1 distances are essentially the same as those in MoSb 2 S ( d Mo - Mo = 2.77 Å), thus shorter than those in Mo 2 S 3 ( d Mo - Mo = 2.85 Å). A structural comparison of β-MoTe 2 , Mo 2 SbS 2 , and MoSb 2 S 9 is given in Figure .…”

Crystal and electronic structure of the red semiconductor Ba4LaSbGe3Se13 comprising the complex anion [Ge2Se7–Sb2Se4–Ge2Se7]14−

“…ICOHP values differ from MOP values in their sign (i.e., negative values indicate bonding character) and units (eV per bond vs. electrons per bond). As demonstrated before [38][39][40], the absolute ICOHP values are typically higher than the corresponding MOP values (ignoring the different units).…”