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Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…

Materials Science · Physics 2023-08-10 Alaa Akkoush , Yair Litman , Mariana Rossi

Transition metal dichalcogenides (TMDs) attract significant attention as potential building blocks in next-generation electronic devices. On the other hand, a comprehensive understanding of how various defects affect local electronic…

Materials Science · Physics 2026-04-28 Joshua R. Evans , Diego A. Garibay , Aiden N. Kuhls , Mehmet Z. Baykara

Self-assembled topological structures of post-processed two-dimensional materials exhibit novel physical properties distinct from those of their parent materials. Herein, the critical role of desulphurization on self-assembled topological…

Materials Science · Physics 2021-01-08 Pinqiang Cao , Jianyang Wu

MoS2 is one of the most investigated and promising transition-metal dichalcogenides. Its popularity stems from the interesting properties of the monolayer phase, which can serve as the fundamental block for numerous applications. In this…

Materials Science · Physics 2024-07-30 Riccardo Dettori , Francesco Siddi , Luciano Colombo , Claudio Melis

Modulating electronic structure of monolayer transition metal dichalcogenides (TMDCs) is important for many applications and doping is an effective way towards this goal, yet is challenging to control. Here we report the in-situ…

Using an ab initio density functional theory (DFT) based electronic structure method, we study the effects of adatoms on the electronic properties of monolayer transition metal dichalcogenide (TMD) Molybdenum-disulfide (MoS2). We consider…

Mesoscale and Nanoscale Physics · Physics 2014-04-08 Jiwon Chang , Stefano Larentis , Emanuel Tutuc , Leonard F. Register , Sanjay K. Banerjee

Nanomaterials are prone to influence by chemical adsorption because of their large surface to volume ratios. This enables sensitive detection of adsorbed chemical species which, in turn, can tune the property of the host material. Recent…

Materials Science · Physics 2015-06-18 Liangzhi Kou , Aijun Du , Changfeng Chen , Thomas Frauenheim

While n-type semiconductor behavior appears to be more common in as-prepared two-dimensional (2D) transition metal dichalcogenides (TMDCs), substitutional doping with acceptor atoms is typically required to tune the conductivity to p-type…

Mesoscale and Nanoscale Physics · Physics 2020-10-28 Jing Yang , Fabio Bussolotti , Hiroyo Kawai , Kuan Eng Johnson Goh

Atomic vacancies, such as chalcogen vacancies in 2D TMDs, are important in changing the host material's electronic structure and transport properties. We present a straightforward one-step method for growing monolayer MoS2 utilizing…

Mesoscale and Nanoscale Physics · Physics 2024-05-28 Sudipta Majumder , Vaibhav Walve , Rahul Chand , Gokul M. A. , Sooyeon Hwang , G. V. Pavan Kumar , Aparna Deshpande , Atikur Rahman

Tailoring the optical properties and electronic doping in transition metal dichalcogenides (TMDs) is a central strategy for developing innovative systems with tunable characteristics. In this context, pyroelectric materials, which hold the…

Monolayers of molybdenum disulfide (MoS2) are the most studied two-dimensional (2D) transition-metal dichalcogenides (TMDs), due to its exceptional optical, electronic, and opto-electronic properties. Recent studies have shown the…

The development of two-dimensional (2D) room temperature magnets is of great significance to the practical application of spintronic devices. However, the number of synthesized intrinsic 2D magnets is limited and the performances of them…

Materials Science · Physics 2023-10-24 Jing Wu , Ruyi Guo , Daoxiong Wu , Xiuling Li , Xiaojun Wu

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim

Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We disentangle the concomitant spectroscopic expression of all…

Superconducting layered transition metal dichalcogenides (TMDs) stand out among other superconductors due to the tunable nature of the superconducting transition, coexistence with other collective electronic excitations (charge density…

Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…

Materials Science · Physics 2026-01-21 Dante Zakhidov , Daniel A. Rehn , Evan J. Reed , Alberto Salleo

Electron doping is an excellent tuning knob to explore different phases of matter in two-dimensional (2D) materials. For example, tuning the Fermi level at a van Hove singularity in twisted bilayer graphene can enhance electron-electron…

Mesoscale and Nanoscale Physics · Physics 2024-05-24 Aitor Garcia-Ruiz , Ming-Hao Liu

Molybdenum disulfide is considered as one of the most promising two-dimensional semiconductors for electronic and optoelectronic device applications. So far, the charge transport in monolayer molybdenum disulfide is dominated by extrinsic…

Two-dimensional transition metal dichalcogenides (TMDCs) have been extensively investigated due to their tunable properties. In this work, density functional theory (DFT) is employed to investigate the adsorption behavior and sensing…

Materials Science · Physics 2026-01-22 Neeraj Thakur , Anjna Bhardwaj , Arun Kumar , Amarjeet Singh

Precise tunability of electronic properties of 2D nanomaterials is a key goal of current research in this field of materials science. Chemical modification of layered transition metal dichalcogenides leads to the creation of…