Exfoliation, point defects and hydrogen storage properties of monolayer TiS<sub>3</sub>: an <i>ab initio</i> study

Arsent’ev, M. Yu.; Petrov, Andrey V.; Missyul, Alexander; Hammouri, Mahmoud

doi:10.1039/c8ra04417a

Cited by 12 publications

(5 citation statements)

References 90 publications

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“…In the subsequent heating cycles (2-6) we observe a gradual increase in the value of the exponent 𝛼 toward 0, signifying an increase in the density of traps and/or an effect on the lower effective light injection levels due to the lower absorption in the visible range of the spectrum by the TiO2 (see Section S1 of the Supporting Information). The exponent 𝛼 saturates around −0.25, a value larger than the starting value of −0.4, which indicates that the final TiO2 material contains a larger trap density than the starting TiS3 material that favors monomolecular recombination between photoexcited carriers [45,46].…”

Section: Electronic and Optoelectronic Characterizationmentioning

confidence: 89%

Tunable Photodetectors via In Situ Thermal Conversion of TiS3 to TiO2

et al. 2020

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In two-dimensional materials research, oxidation is usually considered as a common source for the degradation of electronic and optoelectronic devices or even device failure. However, in some cases a controlled oxidation can open the possibility to widely tune the band structure of 2D materials. In particular, we demonstrate the controlled oxidation of titanium trisulfide (TiS3), a layered semiconductor that has attracted much attention recently thanks to its quasi-1D electronic and optoelectronic properties and its direct bandgap of 1.1 eV. Heating TiS3 in air above 300 °C gradually converts it into TiO2, a semiconductor with a wide bandgap of 3.2 eV with applications in photo-electrochemistry and catalysis. In this work, we investigate the controlled thermal oxidation of individual TiS3 nanoribbons and its influence on the optoelectronic properties of TiS3-based photodetectors. We observe a step-wise change in the cut-off wavelength from its pristine value ~1000 nm to 450 nm after subjecting the TiS3 devices to subsequent thermal treatment cycles. Ab-initio and many-body calculations confirm an increase in the bandgap of titanium oxysulfide (TiO2-xSx) when increasing the amount of oxygen and reducing the amount of sulfur.

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Section: Electronic and Optoelectronic Characterizationmentioning

confidence: 89%

Tunable Photodetectors via In Situ Thermal Conversion of TiS3 to TiO2

et al. 2020

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“…To reduce the synthesis time of TiS 3 , titanium (Ti) foil and high purity S powder are usually directly reacted in a sealed ampoule. The reaction time required for this method is usually more than 3 days. ,,, In addition, no matter which method above is used to synthesize TiS 3 crystal, it needs to be peeled off and transferred to the target substrate for further theoretical research and micro-nano device manufacturing, , which seriously limits the device application of TiS 3 .…”

Section: Introductionmentioning

confidence: 99%

Rapid Solid-Phase Sulfurization Growth and Nonlinear Optical Characterization of Transfer-Free TiS₃ Nanoribbons

et al. 2022

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Quasi-1D titanium trisulfide (TiS3) has strong in-plane anisotropy with a direct band gap of about 1 eV, which has attracted wide attention in the fields of microelectronics and optoelectronics. However, the investigation of in situ synthesis, synthetic mechanism, and nonlinear optical properties of TiS3 is rarely reported. In this work, we developed a transfer-free method to grow TiS3 nanoribbons, successfully reducing the synthesis time from a few days to less than 24 h without pretreatment. Raman spectroscopy revealed TiS3 was not directly synthesized by titanium (Ti) and sulfur (S) but by the further sulfurization reaction of intermediate product TiS2. Moreover, the polarized four-wave mixing (FWM) imaging of the as-grown TiS3 samples was conducted by ultrafast nonlinear optical spectroscopy for the first time, identifying the crystal axis orientation of TiS3 accurately and quickly. Our work not only provides a rapid growth method for transfer-free synthesis of TiS3 nanoribbons on SiO2/Si substrates but also investigate the fast and non-destructive ultrafast nonlinear optical characterization of quasi-1D TiS3, which lays a foundation for understanding the synthetic mechanism and physicochemical properties of transition metal trisulfides (TMTCs) and promoting the functional device applications of TMTCs represented by TiS3.

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“…26,27 It was shown that these 2D materials display diverse electronic, optical, and magnetic properties for a wide range of technological applications, such as optoelectronics, spintronics, catalysts, chemical and biological sensors, supercapacitors, solar cells, nanotribology, [28][29][30] hydrogen production, and lithium or sodium ion batteries. 31,32 Very recently, the synthesis of ultrathin, 2D black phosphorus, through exfoliation from its layered bulk counterparts, has brought the suspended 2D monolayers and multilayers of group-VA elements [33][34][35] into the focus of current research. Specifically, the field effect transistors (FETs) fabricated on few-layer black phosphorus 33 showed a high field-effect mobility up to 1000 cm 2 /V s at room temperature for a thickness of $10 nm.…”

Section: Introductionmentioning

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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Exfoliation, point defects and hydrogen storage properties of monolayer TiS₃: an ab initio study

Cited by 12 publications

References 90 publications

Tunable Photodetectors via In Situ Thermal Conversion of TiS3 to TiO2

Tunable Photodetectors via In Situ Thermal Conversion of TiS3 to TiO2

Rapid Solid-Phase Sulfurization Growth and Nonlinear Optical Characterization of Transfer-Free TiS₃ Nanoribbons

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

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Exfoliation, point defects and hydrogen storage properties of monolayer TiS3: an ab initio study

Cited by 12 publications

References 90 publications

Tunable Photodetectors via In Situ Thermal Conversion of TiS3 to TiO2

Tunable Photodetectors via In Situ Thermal Conversion of TiS3 to TiO2

Rapid Solid-Phase Sulfurization Growth and Nonlinear Optical Characterization of Transfer-Free TiS3 Nanoribbons

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

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Exfoliation, point defects and hydrogen storage properties of monolayer TiS₃: an ab initio study

Rapid Solid-Phase Sulfurization Growth and Nonlinear Optical Characterization of Transfer-Free TiS₃ Nanoribbons