Single-wall pristine and Janus nanotubes based on post-transition metal chalcogenides. First-principles study

Bandura, Andrei V.; Kuruch, Dmitry D.; Porsev, Vitaly V.; Ėvarestov, R. A.

doi:10.1016/j.physe.2022.115611

Cited by 4 publications

(3 citation statements)

References 76 publications

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“…The algorithm presented in [ 105 ] is general, and besides nanohelicenes, it was used for the quantum chemical study of other 1D nanostructures, such as polytwistane [ 109 ], GaS nanotubes [ 110 ], and helical polyacetylenes [ 111 ].…”

Section: Theoretical Consideration Of Nanohelicenes In the Paradigm O...mentioning

confidence: 99%

“…Since the CISS effect relates primarily to excited electron states, it should be observed not only in the case of flowing current but also in the case of a photocurrent promoted by photo-excited electrons. In [52], an experimental and theoretical study of [7]helicene molecules adsorbed on metal surfaces (Cu(332), Ag (110), and Au(111)) was carried out. An excess of 6-8% of longitudinal spin polarization, P Z , was demonstrated:…”

Section: Theoretical Consideration Of Molecular Helicenes and Their P...mentioning

confidence: 99%

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Current State of Computational Modeling of Nanohelicenes

Porsev

Ėvarestov

2023

Nanomaterials

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This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)—a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes.

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Section: Theoretical Consideration Of Nanohelicenes In the Paradigm O...mentioning

confidence: 99%

Section: Theoretical Consideration Of Molecular Helicenes and Their P...mentioning

confidence: 99%

Current State of Computational Modeling of Nanohelicenes

Porsev

Ėvarestov

2023

Nanomaterials

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“…19 Our research group theoretically considered a number of other systems that have helical periodicity only: nanohelicenes, [20][21][22][23][24] polyacetylenes, 25 polytwistane, 26 chiral WS 2 nanotubes, 27 and achiral pristine and Janus nanotubes based on post-transition metal chalcogenides. 28 The symmetry of all the mentioned 1D systems is not associated with any bulk crystal, i.e. they can be regarded as helical polymers for which the theory of line symmetry groups was originally developed.…”

Section: Introductionmentioning

confidence: 99%

Line group approach for quantum chemical study of intrinsic helical twist of ultrathin tellurium nanorods

Porsev,

Bandura,

Evarestov

2024

CrystEngComm

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Nanotubes from Transition Metal Dichalcogenides: Recent Progress in the Synthesis, Characterization and Electrooptical Properties

Yadgarov,

Tenne

2024

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Inorganic layered compounds (2D‐materials), particularly transition metal dichalcogenide (TMDC), are the focus of intensive research in recent years. Shortly after the discovery of carbon nanotubes (CNTs) in 1991, it was hypothesized that nanostructures of 2D‐materials can also fold and seam forming, thereby nanotubes (NTs). Indeed, nanotubes (and fullerene‐like nanoparticles) of WS2 and subsequently from MoS2 were reported shortly after CNT. However, TMDC nanotubes received much less attention than CNT until recently, likely because they cannot be easily produced as single wall nanotubes with well‐defined chiral angles. Nonetheless, NTs from inorganic layered compounds have become a fertile field of research in recent years. Much progress has been achieved in the high‐temperature synthesis of TMDC nanotubes of different kinds, as well as their characterization and the study of their properties and potential applications. Their multiwall structure is found to be a blessing rather than a curse, leading to intriguing observations. This concise minireview is dedicated to the recent progress in the research of TMDC nanotubes. After reviewing the progress in their synthesis and structural characterization, their contributions to the research fields of energy conversion and storage, polymer nanocomposites, andunique optoelectronic devices are being reviewed. These studies suggest numerous potential applications for TMDC nanotubes in various technologies, which are briefly discussed.

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Single-wall pristine and Janus nanotubes based on post-transition metal chalcogenides. First-principles study

Cited by 4 publications

References 76 publications

Current State of Computational Modeling of Nanohelicenes

Current State of Computational Modeling of Nanohelicenes

Line group approach for quantum chemical study of intrinsic helical twist of ultrathin tellurium nanorods

Nanotubes from Transition Metal Dichalcogenides: Recent Progress in the Synthesis, Characterization and Electrooptical Properties

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