Strain effect on the electronic and optical properties of CdSe nanosheet

Yu, Guolong; Chen, Na; Chen, Li; Xie, Yuee; Wang, Feifei; Xiang, Yu‐Tao

doi:10.1002/pssa.201330478

Cited by 9 publications

(10 citation statements)

References 43 publications

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“…Our previous reports have shown a semiconductorto-metal transition of CdSe nanosheet under strain [32,33]. The optical properties of these CdSe nanosheet under strain were also studied [32,33].…”

Section: Introductionmentioning

confidence: 97%

Electronic and magnetic properties of CdSe nanoribbon: First-principles calculations

Chen

Xiang

2015

Physics Letters A

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Section: Introductionmentioning

confidence: 97%

Electronic and magnetic properties of CdSe nanoribbon: First-principles calculations

Chen

Xiang

2015

Physics Letters A

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“…Hydrogenation also decreases the internal stress between the atoms, making the nanosheet structurally very stable. Some theoretical results have been reported for clean CdSe nanosheets [25], but there are no reports for the hydrogenated one. In this work we made a comparative study between clean and hydrogenated 2D CdSe-(2 × 2) layers, observing crucial changes after hydrogenation; this study yields a good understanding of electronic, structural and optical properties before and after saturation.…”

Section: Introductionmentioning

confidence: 99%

Two-dimensional cadmium selenide electronic and optical properties: first principles studies

et al. 2017

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Structural, electronic and optical properties of two-dimensional (2D) cadmium selenide (CdSe) structures with 2 × 2 periodicities are investigated. First principles total energy calculations are performed within the periodic density functional theory. Initially, the structural properties are determined using the local density approximation as implemented in the PWscf code of quantum ESPRESSO package. To investigate the electronic properties, the GW method is applied to determine the energy gap within the plasmon pole and the random phase approximations. Optical properties are investigated to determine the dielectric constant and the Bethe-Salpeter theory is used to calculate the exciton binding energies. Zinc blende and wurtzite phases are considered to calculate the bulk energy gaps, which are compared to the experimental values, finding good agreement. The 2D structure exhibits an energy gap larger than that of the bulk, indicating the effects of reduction in dimensionality; these changes can be attributed to the dangling bonds that are present in the 2D layer.

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“…Furthermore, the band gaps of CdSe nanosheets responded differently among symmetrical, armchair and zigzag strain. In addition, the electronic and optical properties of CdSe nanosheet under uniform strain were also studied by using DFT calculations by Ye and co‐workers . They calculated the band structure, density of states (DOS), as well as optical spectra of CdSe nanosheets.…”

Section: Freestanding 2d Nanosheetsmentioning

confidence: 99%

Recent Progress on 2D Group II‐VI Binary Chalcogenides ZnX and CdX (X = S, Se, Te): From a Theoretical Perspective

Zhou

2019

Advcd Theory and Sims

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2D nanomaterials of ZnX and CdX (X = S, Se, and Te) usually produced by colloidal synthesis are coated with various organic ligands; however, recent experimental work on ZnS and ZnSe demonstrates that the organic ligands can be removed with heating, and the freestanding 2D sheets of ZnS and ZnSe are then fabricated. The freestanding zinc chalcogenide single layers demonstrate superior solar water splitting efficiency and photostability, and hold great promise for numerous optoelectronic applications. Here, recent advances in 2D group II-VI binary chalcogenides ZnX and CdX are presented from a theoretical perspective. Specifically, the article starts with 2D-layered organic-inorganic hybrid materials of group II-VI binary chalcogenides ZnX and CdX, and then focuses on the freestanding 2D nanosheets of pristine inorganic ZnX and CdX. Various possible structures of 2D ZnX and CdX proposed by first-principles calculations, and their unique electronic and optical structures are discussed. It is envisioned that the freestanding 2D-layered sheets of ZnX and CdX, as well as their derivatives, are potential synthesis targets for a great wealth of applications in energy storage and conversion.graphene, the inorganic 2D materials derived from various vdW solids display electronic and optical properties distinctly different from those of their 3D bulk counterparts, which may enable a broad range of their applications in topological insulators, thermoelectrics, spin-or valley-tronics, field-effect transistors, as well as energy conversion and storage. [7,8] In addition to these 2D-layered materials, scientists also keep their eyes open for other possible candidates. In this regard, group II-VI binary chalcogenides ZnX and CdX (X = S, Se, and Te) have begun to draw a great attention. Semiconducting ZnX and CdX materials have long been of enormous interest for a broad range of applications, such as transistor, heterojunction diodes, photovoltaic devices, photoconductors, etc. [12][13][14][15][16] 3D bulk structures of ZnX and CdX exist in two phases, namely wurtzite (WZ) and zinc blende (ZB), [17] and their stability are very close. [18] During the past 20 years or so, experimental advances have suggested that the electronic and optical properties of ZnX and CdX can be efficiently modulated by the manipulation of physical dimensions. For example, quantum confinement effects (QCE) are observed in dimensionreduced nanomaterials of group II-VI binary chalcogenides, such as colloidal 0D quantum dots (QD), [19,20] and 1D quantum ribbons, wires, rods, and belts, [21][22][23][24][25][26][27][28] enabling them to be used in many applications, including photodetector, biological imaging, light-emitting diode, and photovoltaic. [29][30][31][32] Similarly, 2D colloidal nanomaterials of group II-VI binary chalcogenides have also been developed recently, [33][34][35][36] showing thickness-dependent absorption and emission spectra. [37] Group II-VI binary chalcogenides ZnX and CdX might be viewed as isovalent with group IV-IV materials (e.g....

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Strain effect on the electronic and optical properties of CdSe nanosheet

Cited by 9 publications

References 43 publications

Electronic and magnetic properties of CdSe nanoribbon: First-principles calculations

Electronic and magnetic properties of CdSe nanoribbon: First-principles calculations

Two-dimensional cadmium selenide electronic and optical properties: first principles studies

Recent Progress on 2D Group II‐VI Binary Chalcogenides ZnX and CdX (X = S, Se, Te): From a Theoretical Perspective

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