The advent of two-dimensional transition metal dichalcogenides (2D-TMDs) has led to an extensive amount of interest amongst scientists and engineers alike and an intensive amount of research has brought about major breakthroughs in the electronic and optical properties of 2D materials. This in turn has generated considerable interest in novel device applications. With the polymorphic structural features of 2D-TMDs, this class of materials can exhibit both semiconducting and metallic (quasi-metallic) properties in their respective phases. This polymorphic property further increases the interest in 2D-TMDs both in fundamental research and for their potential utilization in novel high-performance device applications. In this review, we highlight the unique structural properties of few-layer and monolayer TMDs in the metallic 1T- and quasi-metallic 1T'-phases, and how these phases dictate their electronic and optical properties. An overview of the semiconducting-to-(quasi)-metallic phase transition of 2D-TMD systems will be covered along with a discussion on the phase transition mechanisms. The current development in the applications of (quasi)-metallic 2D-TMDs will be presented ranging from high-performance electronic and optoelectronic devices to energy storage, catalysis, piezoelectric and thermoelectric devices, and topological insulator and neuromorphic computing applications. We conclude our review by highlighting the challenges confronting the utilization of TMD-based systems and projecting the future developmental trends with an outlook of the progress needed to propel this exciting field forward.

Recent developments in 2D transition metal dichalcogenides: phase transition and applications of the (quasi-)metallic phases

Transition metal dichalcogenides (TMDs) consist of dozens of ultrathin layered materials that have significantly different properties due to their varied phases, which determine the properties and application range of TMDs. Interestingly, a controllable phase transition in TMDs is achieved extensively with the use of several methods. Thus, phase control is a promising way to fully exploit the potential of TMDs. This review introduces the recent rapid development of the study of the TMD phase control, starting from the basic conception of the phase and phase transition in TMDs to the strategies for obtaining phase control. The different strategies are roughly classified into several types based on their characteristics: doping, synthesis method, strain, thermal method, and interlayer coupling. Finally, an evaluation on the prospect of the emergent strategies is provided.

Strategies on Phase Control in Transition Metal Dichalcogenides

2D materials possess wide-tuning properties ranging from semiconducting and metallization to superconducting, etc., which are determined by their structure, empowering them to be appealing in optoelectronic and photovoltaic applications. Pressure is an effective and clean tool that allows modifications of the electronic structure, crystal structure, morphologies, and compositions of 2D materials through van der Waals (vdW) interaction engineering. This enables an insightful understanding of the variable vdW interaction induced structural changes, structure-property relations as well as contributes to the versatile implications of 2D materials. Here, the recent progress of high-pressure research toward 2D materials and heterostructures, involving graphene, boron nitride, transition metal dichalcogenides, 2D perovskites, black phosphorene, MXene, and covalent-organic frameworks, using diamond anvil cell is summarized. A detailed analysis of pressurized structure, phonon dynamics, superconducting, metallization, doping together with optical property is performed. Further, the pressure-induced optimized properties and potential applications as well as the vision of engineering the vdW interactions in heterostructures are highlighted. Finally, conclusions and outlook are presented on the way forward.

https://www.onlinelibrary.wiley.com/doi/pdf/10.1002/advs.202002697

2D Materials and Heterostructures at Extreme Pressure.

High pressure studies of 2D materials and heterostructures: A review

Rhenium chemistry – Then and Now

Among the family of transition metal dichalcogenides, ReS2 occupies a special position, which crystalizes in a unique distorted low-symmetry structure at ambient conditions. The interlayer interaction in ReS2 is rather weak, thus its bulk properties are similar to those of monolayer. However, how compression changes its structure and electronic properties is unknown so far. Here using ab initio crystal structure searching techniques, we explore the high-pressure phase transitions of ReS2 extensively and predict two new high-pressure phases. The ambient pressure phase transforms to a “distorted-1T” structure at very low pressure and then to a tetragonal I41/amd structure at around 90 GPa. The “distorted-1T” structure undergoes a semiconductor–metal transition at around 70 GPa with a band overlap mechanism. Electron–phonon calculations suggest that the I41/amd structure is superconducting and has a critical superconducting temperature of about 2 K at 100 GPa. We further perform high-pressure electrical resistance measurements up to 102 GPa. Our experiments confirm the semiconductor–metal transition and the superconducting phase transition of ReS2 under high pressure. These experimental results are in good agreement with our theoretical predictions. ReS2 is a unique transition metal dichalcogenide (TMD) in terms of its distorted low-symmetry structure at ambient conditions. A subject that remains elusive so far is how its structure and electronic properties respond to pressure. Now a collaborative team led by Prof. Jian Sun from Nanjing University looks at the phase transitions in ReS2 under pressure utilizing ab initio crystal structure searching combining with high-pressure electrical resistance measurements. Upon small compression, the ambient phase transforms to a triclinic distorted 1T structure before changing to a tetragonal polymorph at higher pressure. The former transition is due to the layer sliding with a Peierls mechanism governing the energy stabilization and this semiconducting phase would be metallized with increasing pressure. The latter predicted structure is superconducting at a critical temperature of around 2 K at 100 GPa. This work suggests the role of pressure in tailoring the electronic structures of TMDs.

/pdf/pressure-induced-metallization-and-superconducting-phase-in-4keuukww3q.pdf

Pressure-induced metallization and superconducting phase in ReS 2

Among the family of TMDs, ReS2 takes a special position, which crystalizes in a unique distorted low-symmetry structure at ambient conditions. The interlayer interaction in ReS2 is rather weak, thus its bulk properties are similar to that of monolayer. However, how does compression change its structure and electronic properties is unknown so far. Here using ab initio crystal structure searching techniques, we explore the high-pressure phase transitions of ReS2 extensively and predict two new high-pressure phases. The ambient pressure phase transforms to a "distorted-1T" structure at very low pressure and then to a tetragonal I41/amd structure at around 90 GPa. The "distorted-1T" structure undergoes a semiconductor-metal transition (SMT) at around 70 GPa with a band overlap mechanism. Electron-phonon calculations suggest that the I41/amd structure is superconducting and has a critical superconducting temperature of about 2 K at 100 GPa. We further perform high-pressure electrical resistance measurements up to 102 GPa. Our experiments confirm the SMT and the superconducting phase transition of ReS2 under high pressure. These experimental results are in good agreement with our theoretical predictions.

/pdf/pressure-induced-metallization-and-superconducting-phase-in-24hr28c46n.pdf

Pressure-induced metallization and superconducting phase in ReS2

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Pressure-induced metallization and superconducting phase in ReS 2

Pressure-induced metallization and superconducting phase in ReS2