scholarly journals Torsional instability in the single-chain limit of a transition metal trichalcogenide

Science ◽  
2018 ◽  
Vol 361 (6399) ◽  
pp. 263-266 ◽  
Author(s):  
Thang Pham ◽  
Sehoon Oh ◽  
Patrick Stetz ◽  
Seita Onishi ◽  
Christian Kisielowski ◽  
...  

The scientific bounty resulting from the successful isolation of few to single layers of two-dimensional materials suggests that related new physics resides in the few- to single-chain limit of one-dimensional materials. We report the synthesis of the quasi–one-dimensional transition metal trichalcogenide NbSe3 (niobium triselenide) in the few-chain limit, including the realization of isolated single chains. The chains are encapsulated in protective boron nitride or carbon nanotube sheaths to prevent oxidation and to facilitate characterization. Transmission electron microscopy reveals static and dynamic structural torsional waves not found in bulk NbSe3 crystals. Electronic structure calculations indicate that charge transfer drives the torsional wave instability. Very little covalent bonding is found between the chains and the nanotube sheath, leading to relatively unhindered longitudinal and torsional dynamics for the encapsulated chains.

2011 ◽  
Vol 35 (1) ◽  
pp. 15-27
Author(s):  
Zoran Ivić ◽  
Željko Pržulj

Adiabatic large polarons in anisotropic molecular crystals We study the large polaron whose motion is confined to a single chain in a system composed of the collection of parallel molecular chains embedded in threedimensional lattice. It is found that the interchain coupling has a significant impact on the large polaron characteristics. In particular, its radius is quite larger while its effective mass is considerably lighter than that estimated within the one-dimensional models. We believe that our findings should be taken into account for the proper understanding of the possible role of large polarons in the charge and energy transfer in quasi-one-dimensional substances.


2021 ◽  
Author(s):  
Mingjie Li ◽  
Xuan Zheng ◽  
Xiang Li ◽  
Youjun Yu ◽  
Jinlong Jiang

Recently, transition metal selenides have been investigated extensively as promising electrode materials for high-performance supercapacitors. Herein, the multi-component CoSe2/CNTs@g-C3N4 composites are prepared using a two-step hydrothermal method by incorporating one-dimensional...


2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Tushar Gupta ◽  
Kenan Elibol ◽  
Stefan Hummel ◽  
Michael Stöger-Pollach ◽  
Clemens Mangler ◽  
...  

AbstractTwo-dimensional (2D) antimony (Sb, “antimonene”) is of interest in electronics and batteries. Sb however exhibits a large allotropic structural diversity, which is also influenced by its support. Thus, Sb heterostructure formation is key in 2D Sb integration. Particularly, 2D Sb/graphene interfaces are important. We thus study here few-layered 2D Sb/graphene heterostructures with atomic resolution (scanning) transmission electron microscopy. We find two Sb morphologies to coexist: first, a 2D morphology of layered β-Sb with β-Sb(001)||graphene(001) texture. Second, one-dimensional Sb nanowires which can be matched to β-Sb[2-21]⊥graphene(001) and are closely related to cubic Sb(001)||graphene(001). Importantly, both Sb morphologies show rotational van-der-Waals epitaxy with graphene. Both are resilient against oxidation, although superficial Sb-oxide formation merits consideration, including epitaxial Sb2O3(111)/β-Sb(001) heterostructures. Exact Sb growth behavior depends on processing and substrate properties including, notably, the support underneath the graphene. Our work elucidates the rich phase and epitaxy landscape in 2D Sb and 2D Sb/graphene heterostructures.


1984 ◽  
Vol 39 (9) ◽  
pp. 807-829
Author(s):  
Michael C. Böhm

The band structure of the metal-ligand-metal (M-L-M) bridged quasi one-dimensional (1D) cyclopentadienylmanganese polymer, MnCp 1, has been studied in the unoxidized state and in a partly oxidized modification with one electron removed from each second MnCp fragment. The tight-binding approach is based on a semiempirical self-consistent-field (SCF) Hartree-Fock (HF) crystal orbital (CO) model of the INDO-type (intermediate neglect of differential overlap) combined with a statistical averaging procedure which has its origin in the grand canonical ensemble. The latter approximation allows for an efficient investigation of violations of the translation symmetries in the oxidized 1D material. The oxidation process in 1 is both ligand- and metal-centered (Mn 3d-2 states). The mean-field minimum corresponds to a charge density wave (CDW) solution with inequivalent Mn sites within the employed repeat-units. The symmetry adapted solution with electronically identical 3d centers is a maximum in the variational space. The coupling of this electronic instability to geometrical deformations is also analyzed. The ligand amplitudes encountered in the hole-state wave function prevent extremely large charge separations between the 3d centers which are found in ID systems without bridging moieties (e.g. Ni(CN)2-5 chain). The symmetry reduction in oxidized 1 is compared with violations of spatial symmetries in finite transition metal derivatives and simple solids. The stabilization of the valence bond-type (VB) solution is physically rationalized (i.e. left-right correlations between the 3d centers). The computational results derived for 1 are generalized to oxidized transition metal chains with band occupancies that are simple fractions of the number of stacking units and to 1D systems that deviate from this relation. The entropy-influence for temperatures T ≠ 0 is shortly discussed (stabilization of domain or cluster structures).


2008 ◽  
Vol 361 (14-15) ◽  
pp. 3997-4003 ◽  
Author(s):  
G. Calvez ◽  
K. Bernot ◽  
O. Guillou ◽  
C. Daiguebonne ◽  
A. Caneschi ◽  
...  

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