Atomic and electronic structure of solids of Ge2Br2PN, Ge2I2PN, Sn2Cl2PN, Sn2Br2PN and Sn2I2PN inorganic double helices: a first principles study

Bijoy, T. K.; Murugan, P.; Kumar, Vijay

doi:10.1039/d0ra02007a

Cited by 5 publications

(2 citation statements)

References 35 publications

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“…And several theoretical studies studied the structural properties of SnIP-type semiconductors based on DFT. [26][27][28] Therefore, on the basis of searching for novel SnIP-type inorganic double helical semiconductors, uncovering their outstanding properties and investigating their potential applications are highly desirable.…”

Section: Introductionmentioning

confidence: 99%

Inorganic SnIP-type double helices: promising candidates for high-efficiency photovoltaic cells

Li,

Gong,

Yang

2023

J. Mater. Chem. A

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Section: Introductionmentioning

confidence: 99%

Inorganic SnIP-type double helices: promising candidates for high-efficiency photovoltaic cells

Li,

Gong,

Yang

2023

J. Mater. Chem. A

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Ultrafast Photoconductivity and Terahertz Vibrational Dynamics in Double‐Helix SnIP Nanowires

et al. 2021

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SnIP could be the first of a new class of inorganic double-helix materials. [7][8][9] With strong intra-helix covalent bonds and weak inter-helix dispersion forces, SnIP belongs to the group of newly emerging 1D van der Waals (vdW) materials with potential applications in nanoelectronics and photonics. [10][11][12][13] In contrast to the DNA structure, which consists of two equal radius helices, SnIP forms with an outer [SnI] + helix wrapping around an inner [P] − helix, as pictured in Figure 1a. SnIP crystallizes monoclinically with a unit cell containing two opposite-handed double helices so that there is no net chirality. It is composed of abundant and non-toxic elements and can grow uninhibited to cm-length needles with a low-temperature synthesis [6,14] (Sections S1 and S2, Supporting Information) or in nanotubes using vapor deposition. [15,16] Its 1.86 eV band gap, as determined by band structure calculations (Figure 1b,c) and verified experimentally (see ref.[ 6 ] and Section S3, Supporting Information), is well situated for solar absorption and photocatalytic water splitting. [8,10,15] SnIP is also an extremely soft and flexible semiconductor and is therefore a promising material for applications in flexible electronics, [6,10] where these properties are highly desirable. [17] It is predicted to have a high carrier mobility; [8] however, as-grown SnIP is highly resistive so that the current lack of doped samples has made it difficult to explore its electronic properties. [6] Moreover, despite the exciting properties and unique structure of SnIP, there have been no investigations probing its ultrafast photophysical properties.Here, we use time-resolved terahertz (THz) spectroscopy (TRTS) to study picosecond charge carrier dynamics in SnIP nanowire films, as shown in Figure 1d. TRTS, a powerful non-contact ultrafast probe, has been used extensively to probe carrier dynamics in low-dimensional materials, accelerating scientific understanding of transport mechanisms and enabling materials optimization for potential applications. [18,19] From analysis of the photoconductivity spectra, along with insight into the highly anisotropic energy landscape from density functional theory (DFT), we make the first measurement of the carrier mobility in SnIP. We find a maximum electron mobility of 280 cm 2 V −1 s −1 along the double-helix axis, an extraordinarily high mobility for a material as soft and flexible as SnIP. On Tin iodide phosphide (SnIP), an inorganic double-helix material, is a quasi-1D van der Waals semiconductor that shows promise in photocatalysis and flexible electronics. However, the understanding of the fundamental photophysics and charge transport dynamics of this new material is limited. Here, time-resolved terahertz (THz) spectroscopy is used to probe the transient photoconductivity of SnIP nanowire films and measure the carrier mobility. With insight into the highly anisotropic electronic structure from quantum chemical calculations, an electron mobility as high as 280 cm 2 V −1 s −1 along the doub...

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SnIP-type atomic-scale inorganic double-helix semiconductors: Synthesis, properties, and applications

Ali,

Zhang,

Khurram

et al. 2023

Nano Res.

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Atomic and electronic structure of solids of Ge₂Br₂PN, Ge₂I₂PN, Sn₂Cl₂PN, Sn₂Br₂PN and Sn₂I₂PN inorganic double helices: a first principles study

Abstract: We report the results of density functional theory calculations on the atomic and electronic structure of solids formed by assembling A2B2PN (A = Ge and Sn, B = Cl, Br, and I) inorganic double helices.

Cited by 5 publications

References 35 publications

Inorganic SnIP-type double helices: promising candidates for high-efficiency photovoltaic cells

Inorganic SnIP-type double helices: promising candidates for high-efficiency photovoltaic cells

Ultrafast Photoconductivity and Terahertz Vibrational Dynamics in Double‐Helix SnIP Nanowires

SnIP-type atomic-scale inorganic double-helix semiconductors: Synthesis, properties, and applications

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