8 – N Rule and Chemical Bonding in Main-Group MgAgAs-Type Compounds

D Bende, FR Wagner, Y Grin - Inorganic Chemistry, 2015 - ACS Publications
The chemical bonding of main-group MgAgAs-type compounds is analyzed with quantum
chemical direct-space techniques. A new bonding concept is developed that unites the …

Polarity-extended 8− N eff rule for semiconducting main-group compounds with the TiNiSi-type of crystal structure

R Freccero, Y Grin, FR Wagner - Dalton Transactions, 2023 - pubs.rsc.org
Application of chemical bonding analysis in position-space techniques based on combined
topological analysis of the electron density and electron-localizability indicator distributions …

[HTML][HTML] Thermal and electronic transport properties of the half-Heusler phase ScNiSb

K Synoradzki, K Ciesielski, I Veremchuk, H Borrmann… - Materials, 2019 - mdpi.com
Thermoelectric properties of the half-Heusler phase ScNiSb (space group F 4¯ 3 m) were
studied on a polycrystalline single-phase sample obtained by arc-melting and spark-plasma …

Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition

K Ciesielski, K Synoradzki, D Szymański, K Tobita… - Scientific Reports, 2023 - nature.com
Abstract Half-Heusler (HH) phase TmNiSb was obtained by arc-melting combined with high-
pressure high-temperature sintering in conditions: p= 5.5 GPa, T HPHT= 20, 250, 500, 750 …

Chemical bonding analysis as a guide for the preparation of new compounds: The case of VIrGe and HfPtGe

D Bende, FR Wagner, O Sichevych… - Angewandte Chemie, 2017 - Wiley Online Library
The chemical bonding of transition metal compounds with a MgAgAs‐type of crystal
structure is analyzed with quantum chemical position‐space techniques. The observed …

Heuristic algorithms for understanding chemistry via simple quantities

P Karen - Pure and Applied Chemistry, 2023 - degruyter.com
Periodicity of elements is the basis of teaching and understanding inorganic chemistry. This
review exemplifies simple rules and counting procedures as heuristic algorithms yielding …

Synthesis, structure, and properties of two Zintl phases around the composition SrLiAs

XJ Feng, Y Prots, MP Schmidt, S Hoffmann… - Inorganic …, 2013 - ACS Publications
Two atomic arrangements were found near the equiatomic composition in the strontium–
lithium–arsenic system. Orthorhombic o-SrLiAs was synthesized by reaction of elemental …

Atomically Thin Semiconductor TiPtGe and Heterostructure of β-Antimonene/TiPtGe: A First-Principles Study

K Liu, Z Liu, J Wang, J Song, Y Liu - The Journal of Physical …, 2023 - ACS Publications
Half-Heusler intermetallic compounds have been an important subject of interest in the field
of semiconductors for years, but have been studied more for their bulk structure and rarely …

29 Si, 47 Ti, 49 Ti and 195 Pt solid state MAS NMR spectroscopic investigations of ternary silicides TPtSi, germanides TPtGe (T= Ti, Zr, Hf) and stannide TiPtSn

C Benndorf, H Eckert, R Pöttgen - Dalton Transactions, 2016 - pubs.rsc.org
Eight ternary tetrelides TPtX (T= Ti, Zr, Hf; X= Si, Ge, Sn) were synthesized from the elements
by arc-melting and subsequent annealing. TiPtSi, ZrPtSi, ZrPtGe, HfPtSi and HfPtGe …

Chemical bonding in mgagas-type compounds

D Bende, Y Grin, FR Wagner - Heusler Alloys: Properties, Growth …, 2015 - Springer
The chemical bonding in MgAgAs-type compounds of the main-group elements is analyzed
with the aid of quantum chemical direct-space techniques. These phases show a variety of …