Computational study of phase engineered transition metal dichalcogenides heterostructures

Ma, Jiachen; Zhang, Qiaoxuan; Yang, Jie; Feng, Shenyan; Lei, Ming; Quhe, Ruge

doi:10.1016/j.commatsci.2017.10.014

Cited by 11 publications

(7 citation statements)

References 54 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The structure and electronic characteristics were explored for the TMDC heterostructures made up of the 2H and 1T phases. [ 78 ] The heterostructures consisting of identical TMDCs with diverse structural phases hold excellent prospects in optimizing the electrochemical catalytic activity within 2D‐ECs. Recently, it has been illustrated that the multiphase heterojunctions of monolayer MoS 2 nanosheets could be prepared as 1T′‐/2H‐MoS 2 via annealing ( Figure A(a)).…”

Section: Structural Engineering and Catalytic Center Design Of Emergi...mentioning

confidence: 99%

Emerging 2D Materials for Electrocatalytic Applications: Synthesis, Multifaceted Nanostructures, and Catalytic Center Design

Xiao

Long

et al. 2022

Small

View full text Add to dashboard Cite

Currently, the development of advanced 2D nanomaterials has become an interdisciplinary subject with extensive studies due to their extraordinary physicochemical performances. Beyond graphene, the emerging 2D‐material‐derived electrocatalysts (2D‐ECs) have aroused great attention as one of the best candidates for heterogeneous electrocatalysis. The tunable physicochemical compositions and characteristics of 2D‐ECs enable rational structural engineering at the molecular/atomic levels to meet the requirements of different catalytic applications. Due to the lack of instructive and comprehensive reviews, here, the most recent advances in the nanostructure and catalytic center design and the corresponding structure–function relationships of emerging 2D‐ECs are systematically summarized. First, the synthetic pathways and state‐of‐the‐art strategies in the multifaceted structural engineering and catalytic center design of 2D‐ECs to promote their electrocatalytic activities, such as size and thickness, phase and strain engineering, heterojunctions, heteroatom doping, and defect engineering, are emphasized. Then, the representative applications of 2D‐ECs in electrocatalytic fields are depicted and summarized in detail. Finally, the current breakthroughs and primary challenges are highlighted and future directions to guide the perspectives for developing 2D‐ECs as highly efficient electrocatalytic nanoplatforms are clarified. This review provides a comprehensive understanding to engineer 2D‐ECs and may inspire many novel attempts and new catalytic applications across broad fields.

show abstract

Section: Structural Engineering and Catalytic Center Design Of Emergi...mentioning

confidence: 99%

Emerging 2D Materials for Electrocatalytic Applications: Synthesis, Multifaceted Nanostructures, and Catalytic Center Design

Xiao

Long

et al. 2022

Small

View full text Add to dashboard Cite

show abstract

“…The 1T-phase can be obtained via exfoliation of the 2H-phase [ 70 ]. It is metallic in nature, with an electrical conductivity 10 7 times higher than the 2H phase, and is of interest as a supercapacitor electrode material [ 70 , 71 ]. This metastable and paramagnetic phase has been reported to be efficient as a photocatalyst for hydrogen evolution and gas molecule adsorption, due to the high surface activity at the basal sites [ 44 , 45 , 52 , 53 , 62 , 70 ].…”

Section: Mos 2 Structure and Propertiesmentioning

confidence: 99%

MoS2 and MoS2 Nanocomposites for Adsorption and Photodegradation of Water Pollutants: A Review

Amaral

Daniel‐da‐Silva

2022

Molecules

View full text Add to dashboard Cite

The need for fresh and conveniently treated water has become a major concern in recent years. Molybdenum disulfide (MoS2) nanomaterials are attracting attention in various fields, such as energy, hydrogen production, and water decontamination. This review provides an overview of the recent developments in MoS2-based nanomaterials for water treatment via adsorption and photodegradation. Primary attention is given to the structure, properties, and major methods for the synthesis and modification of MoS2, aiming for efficient water-contaminant removal. The combination of MoS2 with other components results in nanocomposites that can be separated easily or that present enhanced adsorptive and photocatalytic properties. The performance of these materials in the adsorption of heavy metal ions and organic contaminants, such as dyes and drugs, is reviewed. The review also summarizes current progress in the photocatalytic degradation of various water pollutants, using MoS2-based nanomaterials under UV-VIS light irradiation. MoS2-based materials showed good activity after several reuse cycles and in real water scenarios. Regarding the ecotoxicity of the MoS2, the number of studies is still limited, and more work is needed to effectively evaluate the risks of using this nanomaterial in water treatment.

show abstract

“…[34] These vdWHs can separate the electron-hole pairs, prolong the recombination rate, improve the quantum efficiency, and enhance carrier mobility in optoelectronic devices. [46] For example, a 2H-MX 2 /1T-MX 2 vdWH with zero tunnel barriers shows a high carrier injection rate.…”

Section: Wwwadvelectronicmatdementioning

confidence: 99%

“…In addition, investigations of vdWHs stacked by the same MX 2 with different structure phases also have made some progress in recent years. For example, a 2H‐MX 2 /1T‐MX 2 vdWH with zero tunnel barriers shows a high carrier injection rate …”

Section: Mx2/semiconductor Vdwhmentioning

confidence: 99%

Recent Advances in van der Waals Heterojunctions Based on Semiconducting Transition Metal Dichalcogenides

Cheng

et al. 2018

Adv Elect Materials

View full text Add to dashboard Cite

Due to the direct bandgap with coupled spin–valley physics, semiconducting MX2 (M = Mo, W; X = S, Se) materials have attracted considerable attention and have numerous proposed applications. With the development of 2D materials research, many 2D materials have been discovered, such as insulators, semiconductors, ferromagnetic semiconductors, topological insulators, metals, and ferromagnetic metals. van der Waals heterojunctions (vdWHs), based on MX2 and other 2D materials, have attracted increasing attention because of their various potential applications, such as field effect transistors, solar cells, photodetectors, light emitting diodes, and lasers. Based on the functionality of 2D materials, vdWHs are classified into six classes: MX2/semiconductors, MX2/insulators, MX2/topological insulators, MX2/ferromagnetic semiconductors, MX2/metals, and MX2/ferromagnetic metals. For each class of vdWHs, the structural, electronic, and optical properties, as well as potential applications in electronics and optoelectronics, are reviewed. Finally, an overview of perspectives and challenges regarding vdWHs based on MX2 materials is presented.

show abstract

Computational study of phase engineered transition metal dichalcogenides heterostructures

Cited by 11 publications

References 54 publications

Emerging 2D Materials for Electrocatalytic Applications: Synthesis, Multifaceted Nanostructures, and Catalytic Center Design

Emerging 2D Materials for Electrocatalytic Applications: Synthesis, Multifaceted Nanostructures, and Catalytic Center Design

MoS2 and MoS2 Nanocomposites for Adsorption and Photodegradation of Water Pollutants: A Review

Recent Advances in van der Waals Heterojunctions Based on Semiconducting Transition Metal Dichalcogenides

Contact Info

Product

Resources

About