Discovery, Development, and Characterization of Metal-rich Niobium and Tungsten Halide Compounds

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The exploration of metal-rich compounds via thermal scanning, combined with X-ray analyses is a very powerful and systematic approach for the discovery of new systems. The objective of this research is to develop new metal-rich phases containing halides and non-metal heteroatoms (Q), such as chalcogenides (O, S, Se, Te) and pnictides (P, N, As). The employment of heteroatoms is expected to lead to the formation of metal-rich compounds with new cluster types (see W6PBr17), or cluster compounds with lower dimensionality (one-dimensional Nb6I9s) or two-dimensional materials (like WTe2I). M-X and M-Q systems with M = Nb and W are expected to pass though several reaction stages when being reacted with Q and X2 (X2 = Br2, I2) to form new M-Q-X compounds (see W6PBr17 and (WTe2I), as will be investigated by thermal scanning. Intermediate phases of metal-halide-Q systems are identified and structurally characterized. These compounds can in fact serve as precursors to yield new binary compounds (Nb4S3). New compounds are structurally characterized and studied by physical properties measurements and theoretical calculations.