Ultra-narrow blue phosphorene nanoribbons for tunable optoelectronics

Swaroop, Ram; Ahluwalia, P. K.; Tankeshwar, K.; Kumar, Ashok

doi:10.1039/c6ra26253h

Cited by 42 publications

(23 citation statements)

References 47 publications

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“…2 b) it is observed at 17 (19 ) with stress value of 3.46 GPa (3.40) GPa . The present values of UTSR for penta-PdQ 2 are higher than the blue-phosphorene monolayer (~ 16 ) 51 . Thus, the UTSR values suggest that the penta-PdQ 2 monolayer is relatively more flexible.…”

Section: Resultscontrasting

confidence: 55%

Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q = S, Se) monolayer

Raval

Gupta

Gajjar

et al. 2022

Sci Rep

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We studied the physical, electronic transport and optical properties of a unique pentagonal PdQ2 (Q = S, Se) monolayers. The dynamic stability of 2Dwrinkle like-PdQ2 is proven by positive phonon frequencies in the phonon dispersion curve. The optimized structural parameters of wrinkled pentagonal PdQ2 are in good agreement with the available experimental results. The ultimate tensile strength (UTHS) was calculated and found that, penta-PdS2 monolayer can withstand up to 16% (18%) strain along x (y) direction with 3.44 GPa (3.43 GPa). While, penta-PdSe2 monolayer can withstand up to 17% (19%) strain along x (y) dirrection with 3.46 GPa (3.40 GPa). It is found that, the penta-PdQ2 monolayers has the semiconducting behavior with indirect band gap of 0.94 and 1.26 eV for 2D-PdS2 and 2D-PdSe2, respectively. More interestingly, at room temperacture, the hole mobilty (electron mobility) obtained for 2D-PdS2 and PdSe2 are 67.43 (258.06) cm2 V−1 s−1 and 1518.81 (442.49) cm2 V−1 s−1, respectively. In addition, I-V characteristics of PdSe2 monolayer show strong negative differential conductance (NDC) region near the 3.57 V. The Shockly-Queisser (SQ) effeciency prameters of PdQ2 monolayers are also explored and the highest SQ efficeinciy obtained for PdS2 is 33.93% at −5% strain and for PdSe2 is 33.94% at −2% strain. The penta-PdQ2 exhibits high optical absorption intensity in the UV region, up to 4.04 × 105 (for PdS2) and 5.28 × 105 (for PdSe2), which is suitable for applications in optoelectronic devices. Thus, the ultrathin PdQ2 monolayers could be potential material for next-generation solar-cell applications and high performance nanodevices.

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Section: Resultscontrasting

confidence: 55%

Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q = S, Se) monolayer

Raval

Gupta

Gajjar

et al. 2022

Sci Rep

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“…Whereas, in penta-PdSe2 (see Figure 2(b)) it is observed at 17% (19%) with stress value of 3.46 GPa (3.40) GPa. The present values of UTSR for penta-PdQ2 are higher than the bluephosphorene monolayer (~16%) [51]. Thus, the UTSR values suggest that the penta-PdQ2 monolayer is relatively more flexible.…”

Section: Stability and Mechanical Propertiescontrasting

confidence: 50%

Semiconductor Two-Dimensional PdQ2 (Q=S, Se) Monolayer: Strain Modulating Electronic Band Gaps and SQ Efficiencies

Gajjar

Raval

Gupta

et al. 2021

Preprint

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We studied the physical, electronic transport and optical properties of a unique pentagonal PdQ2 (Q= S, Se) monolayers. The dynamic stability of 2D - wrinkle like - PdQ2 is proven by positive phonon frequencies in the phonon dispersion curve. The optimized structural parameters of wrinkled pentagonal PdQ2 are in good agreement with the available experimental results. The ultimate tensile strength (UTHS) was calculated and found that, penta-PdS2 monolayer can withstand up to 16% (18%) strain along x (y) direction with 3.44 GPa (3.43 GPa). While, penta-PdSe2 monolayer can withstand up to 17% (19%) strain along x (y) dirrection with 3.46 GPa (3.40 GPa). It is found that, the penta-PdQ2 monolayers has the semiconducting behavior with indirect band gap of 0.94 and 1.26 eV for 2D-PdS2 and 2D-PdSe2, respectively. More interestingly, at room temperacture, the hole mobilty (electron mobility) obtained for 2D-PdS2 and PdSe2 are 67.43 (258.06) cm2 V-1 s-1 and 1518.81 (442.49) cm2 V-1 s-1, respectively. In addition, I-V characteristics of PdSe2 monolayer show strong negative differential conductance (NDC) region near the 3.57 V. The Shockly-Queisser (SQ) effeciency prameters of PdQ2 monolayers are also explored and the highest SQ efficeinciy obtained for PdS2 is 33.93% at -5% strain and for PdSe2 is 33.94% at -2% strain. The penta-PdQ2 exhibits high optical absorption intensity in the UV region, up to 4.04 × 105 (for PdS2) and 5.28 × 105 (for PdSe2), which is suitable for applications in optoelectronic devices. Thus, the ultrathin PdQ2 monolayers could be potential material for next-generation solar-cell applications and high performance nanodevices.

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“…[258][259][260][261] Generally, bandgaps of armchair nanoribbons show an oscillatory variation as a function of the width, where the bandgap of sw-P armchair nanoribbons (APNRs) decreases monotonically with the increasing ribbon width. 258,262 This facilitates APNRs being more promising than those of MoS 2 and graphene for FET applications. Both armchair and zigzag (ZPNR) nanoribbons of sw-P have positive formation energies, which suggests that their experimental synthesis is fully achievable.…”

Section: Nanoribbonsmentioning

confidence: 99%

“…Both armchair and zigzag (ZPNR) nanoribbons of sw-P have positive formation energies, which suggests that their experimental synthesis is fully achievable. 258,262 Sarvari et al 263 showed that the performance of APNR-FET changes significantly depending on the number of phosphorene layers and length of the device channel. For example, they showed that the bandgap of the material is reduced by increasing the number of APNR layers.…”

Section: Nanoribbonsmentioning

confidence: 99%

Two-dimensional pnictogens: A review of recent progresses and future research directions

Ersan

Kecik

Özçelik

et al. 2019

Applied Physics Reviews

160

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Soon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication of field effect transistors thereof, theoretical studies have predicted that other group-VA elements (or pnictogens), N, As, Sb, and Bi can also form stable, single-layer (SL) structures. These were nitrogene in a buckled honeycomb structure, arsenene, antimonene, and bismuthene in a buckled honeycomb, as well as washboard and square-octagon structures with unusual mechanical, electronic, and optical properties. Subsequently, theoretical studies are followed by experimental efforts that aim at synthesizing these novel 2D materials. Currently, research on 2D pnictogens has been a rapidly growing field revealing exciting properties, which offers diverse applications in flexible electronics, spintronics, thermoelectrics, and sensors. This review presents an evaluation of the previous experimental and theoretical studies until 2019, in order to provide input for further research attempts in this field. To this end, we first reviewed 2D, SL structures of group-VA elements predicted by theoretical studies with an emphasis placed on their dynamical and thermal stabilities, which are crucial for their use in a device. The mechanical, electronic, magnetic, and optical properties of the stable structures and their nanoribbons are analyzed by examining the effect of external factors, such as strain, electric field, and substrates. The effect of vacancy defects and functionalization by chemical doping through adatom adsorption on the fundamental properties of pnictogens has been a critical subject. Interlayer interactions in bilayer and multilayer structures, their stability, and tuning their physical properties by vertical stacking geometries are also discussed. Finally, our review is concluded by highlighting new research directions and future perspectives on the challenges in this emerging field.

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Ultra-narrow blue phosphorene nanoribbons for tunable optoelectronics

Abstract: We report optoelectronic properties of ultra-narrow blue phosphorene nanoribbons (BPNRs) within the state-of-the-art density functional theory framework.

Cited by 42 publications

References 47 publications

Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q = S, Se) monolayer

Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q = S, Se) monolayer

Semiconductor Two-Dimensional PdQ2 (Q=S, Se) Monolayer: Strain Modulating Electronic Band Gaps and SQ Efficiencies

Two-dimensional pnictogens: A review of recent progresses and future research directions

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