Other affiliations: Freiberg University of Mining and Technology, Jacobs University Bremen, Universidad de Guanajuato ...read more
Bio: Thomas Heine is an academic researcher from Dresden University of Technology. The author has contributed to research in topics: Band gap & Density functional theory. The author has an hindex of 84, co-authored 423 publications receiving 24210 citations. Previous affiliations of Thomas Heine include Freiberg University of Mining and Technology & Jacobs University Bremen.
Papers published on a yearly basis
TL;DR: In this article, it was shown that quantum confinement in layered d-electron dichalcogenides results in tuning the electronic structure at the nanoscale, and the properties of related TmS2 nanolayers (Tm = W, Nb, Re) were studied.
Abstract: Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its size to a monolayer, MoS2 undergoes a transition to the direct band semiconductor. We support this experimental observation by first principles calculations and show that quantum confinement in layered d-electron dichalcogenides results in tuning the electronic structure at the nanoscale. We further studied the properties of related TmS2 nanolayers (Tm = W, Nb, Re) and show that the isotopological WS2 exhibits similar electronic properties, while NbS2 and ReS2 remain metallic independent on size.
TL;DR: Two new chemically stable [acid and base] 2D crystalline covalent organic frameworks (COFs) were synthesized using combined reversible and irreversible organic reactions and showed strong resistance toward acid and boiling water and exceptional stability in base.
Abstract: Two new chemically stable [acid and base] 2D crystalline covalent organic frameworks (COFs) (TpPa-1 and TpPa-2) were synthesized using combined reversible and irreversible organic reactions. Syntheses of these COFs were done by the Schiff base reactions of 1,3,5-triformylphloroglucinol (Tp) with p-phenylenediamine (Pa-1) and 2,5-dimethyl-p-phenylenediamine (Pa-2), respectively, in 1:1 mesitylene/dioxane. The expected enol–imine (OH) form underwent irreversible proton tautomerism, and only the keto–enamine form was observed. Because of the irreversible nature of the total reaction and the absence of an imine bond in the system, TpPa-1 and TpPa-2 showed strong resistance toward acid (9 N HCl) and boiling water. Moreover, TpPa-2 showed exceptional stability in base (9 N NaOH) as well.
TL;DR: This Atlas demonstrates the large diversity of electronic properties, including band gaps and electron mobilities of atomically thin materials, as well as rare earth, semimetals, transition metal chalcogenides and halides, and finally synthetic organic 2D materials, exemplified by 2D covalent organic frameworks.
Abstract: The discovery of graphene and other two-dimensional (2D) materials together with recent advances in exfoliation techniques have set the foundations for the manufacturing of single layered sheets from any layered 3D material. The family of 2D materials encompasses a wide selection of compositions including almost all the elements of the periodic table. This derives into a rich variety of electronic properties including metals, semimetals, insulators and semiconductors with direct and indirect band gaps ranging from ultraviolet to infrared throughout the visible range. Thus, they have the potential to play a fundamental role in the future of nanoelectronics, optoelectronics and the assembly of novel ultrathin and flexible devices. We categorize the 2D materials according to their structure, composition and electronic properties. In this review we distinguish atomically thin materials (graphene, silicene, germanene, and their saturated forms; hexagonal boron nitride; silicon carbide), rare earth, semimetals, transition metal chalcogenides and halides, and finally synthetic organic 2D materials, exemplified by 2D covalent organic frameworks. Our exhaustive data collection presented in this Atlas demonstrates the large diversity of electronic properties, including band gaps and electron mobilities. The key points of modern computational approaches applied to 2D materials are presented with special emphasis to cover their range of application, peculiarities and pitfalls.
TL;DR: Three thermally and chemically stable isoreticular covalent organic frameworks synthesized via room-temperature solvent-free mechanochemical grinding seemed to have a graphene-like layered morphology (exfoliated layers), unlike the parent COFs synthesized solvothermally.
Abstract: Three thermally and chemically stable isoreticular covalent organic frameworks (COFs) were synthesized via room-temperature solvent-free mechanochemical grinding. These COFs were successfully compared with their solvothermally synthesized counterparts in all aspects. These solvent-free mechanochemically synthesized COFs have moderate crystallinity with remarkable stability in boiling water, acid (9 N HCl), and base [TpBD (MC) in 3 N NaOH and TpPa-2 (MC) in 9 N NaOH]. Exfoliation of COF layers was simultaneously observed with COF formation during mechanochemical synthesis. The structures thus obtained seemed to have a graphene-like layered morphology (exfoliated layers), unlike the parent COFs synthesized solvothermally.
TL;DR: A fully π-conjugated molecular network attains high electronic spin density and unidirectional spin alignment and is synthesized through condensation reactions of tetrakis(4-formylphenyl)pyrene and 1,4-phenylenediacetonitrile.
Abstract: We synthesized a two-dimensional (2D) crystalline covalent organic framework (sp2c-COF) that was designed to be fully π-conjugated and constructed from all sp2 carbons by C=C condensation reactions of tetrakis(4-formylphenyl)pyrene and 1,4-phenylenediacetonitrile. The C=C linkages topologically connect pyrene knots at regular intervals into a 2D lattice with π conjugations extended along both x and y directions and develop an eclipsed layer framework rather than the more conventionally obtained disordered structures. The sp2c-COF is a semiconductor with a discrete band gap of 1.9 electron volts and can be chemically oxidized to enhance conductivity by 12 orders of magnitude. The generated radicals are confined on the pyrene knots, enabling the formation of a paramagnetic carbon structure with high spin density. The sp2 carbon framework induces ferromagnetic phase transition to develop spin-spin coherence and align spins unidirectionally across the material.
28 Jul 2005
TL;DR: This work reviews the historical development of Transition metal dichalcogenides, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.
Abstract: Single-layer metal dichalcogenides are two-dimensional semiconductors that present strong potential for electronic and sensing applications complementary to that of graphene.
TL;DR: This Review describes how the tunable electronic structure of TMDs makes them attractive for a variety of applications, as well as electrically active materials in opto-electronics.
Abstract: Ultrathin two-dimensional nanosheets of layered transition metal dichalcogenides (TMDs) are fundamentally and technologically intriguing. In contrast to the graphene sheet, they are chemically versatile. Mono- or few-layered TMDs - obtained either through exfoliation of bulk materials or bottom-up syntheses - are direct-gap semiconductors whose bandgap energy, as well as carrier type (n- or p-type), varies between compounds depending on their composition, structure and dimensionality. In this Review, we describe how the tunable electronic structure of TMDs makes them attractive for a variety of applications. They have been investigated as chemically active electrocatalysts for hydrogen evolution and hydrosulfurization, as well as electrically active materials in opto-electronics. Their morphologies and properties are also useful for energy storage applications such as electrodes for Li-ion batteries and supercapacitors.
TL;DR: Ultraensitive monolayer MoS2 phototransistors with improved device mobility and ON current are demonstrated, showing important potential for applications in MoS 2-based integrated optoelectronic circuits, light sensing, biomedical imaging, video recording and spectroscopy.
Abstract: A very sensitive photodector based on molybdenum disulphide with potential for integrated optoelectronic circuits, light sensing, biomedical imaging, video recording or spectroscopy is now demonstrated.