scholarly journals Fusing N-heteroacene analogues into one “kinked” molecule with slipped two-dimensional ladder-like packing

2016 ◽  
Vol 7 (2) ◽  
pp. 1309-1313 ◽  
Author(s):  
Jing Zhang ◽  
Chengyuan Wang ◽  
Guankui Long ◽  
Naoki Aratani ◽  
Hiroko Yamada ◽  
...  
Keyword(s):  
Charge Transport ◽  
Theoretical Calculations ◽  
Hole Mobility ◽  
Two Dimensional ◽  
Potential Well

An unexpected N-heteroacene with a slipped two-dimensional ladder-like packing feature shows a hole mobility up to 0.3 cm2 V−1 s−1, while theoretical calculations suggest that this compound possesses potential well-balanced ambipolar charge-transport characteristics.

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin Evans ◽  
William Dichtel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

Combined Healing and Doping of Transition Metal Dichalcogenides Through Molecular Functionalization

2021 ◽  
Author(s):  
Sai Manoj Gali ◽  
David Beljonne
Keyword(s):  
Transition Metal ◽  
Charge Transport ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Transition Metal Dichalcogenides (TMDCs) are emerging as promising two-dimensional (2D) materials. Yet, TMDCs are prone to inherent defects such as chalcogen vacancies, which are detrimental to charge transport. Passivation of...

Metal-Organic Framework Transistors for Dopamine Sensing

2021 ◽  
Author(s):  
Jiajun Song ◽  
Jianzhong Zheng ◽  
Anneng Yang ◽  
Hong Liu ◽  
Zeyu Zhao ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
High Porosity ◽  
Two Dimensional ◽  
Metal Organic ◽  
Organic Framework

Two-dimensional (2D) conductive metal-organic frameworks (MOFs) can not only inherit the high porosity and tailorability of traditional MOFs but also exhibit unique charge transport properties, offering promising opportunities for applications...

scholarly journals Nonreciprocal charge transport up to room temperature in bulk Rashba semiconductor α-GeTe

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yan Li ◽  
Yang Li ◽  
Peng Li ◽  
Bin Fang ◽  
Xu Yang ◽  
...  
Keyword(s):  
Charge Transport ◽  
Room Temperature ◽  
Theoretical Calculations ◽  
Ferromagnetic Layer ◽  
Spin Splitting ◽  
New Paradigm ◽  
Rashba Spin ◽  
Rashba Spin Splitting ◽  
Fundamental Insight ◽  
Insight Into

AbstractNonmagnetic Rashba systems with broken inversion symmetry are expected to exhibit nonreciprocal charge transport, a new paradigm of unidirectional magnetoresistance in the absence of ferromagnetic layer. So far, most work on nonreciprocal transport has been solely limited to cryogenic temperatures, which is a major obstacle for exploiting the room-temperature two-terminal devices based on such a nonreciprocal response. Here, we report a nonreciprocal charge transport behavior up to room temperature in semiconductor α-GeTe with coexisting the surface and bulk Rashba states. The combination of the band structure measurements and theoretical calculations strongly suggest that the nonreciprocal response is ascribed to the giant bulk Rashba spin splitting rather than the surface Rashba states. Remarkably, we find that the magnitude of the nonreciprocal response shows an unexpected non-monotonical dependence on temperature. The extended theoretical model based on the second-order spin–orbit coupled magnetotransport enables us to establish the correlation between the nonlinear magnetoresistance and the spin textures in the Rashba system. Our findings offer significant fundamental insight into the physics underlying the nonreciprocity and may pave a route for future rectification devices.

scholarly journals A Universal Atomic Substitution Conversion Strategy Towards Synthesis of Large-Size Ultrathin Nonlayered Two-Dimensional Materials

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Mei Zhao ◽  
Sijie Yang ◽  
Kenan Zhang ◽  
Lijie Zhang ◽  
Ping Chen ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
2D Materials ◽  
Direct Synthesis ◽  
Two Dimensional ◽  
Covalent Bonds ◽  
2D Layered Materials ◽  
Large Size ◽  
Two Dimensional Materials ◽  
Microfabrication Technique ◽  
Atomic Substitution

AbstractNonlayered two-dimensional (2D) materials have attracted increasing attention, due to novel physical properties, unique surface structure, and high compatibility with microfabrication technique. However, owing to the inherent strong covalent bonds, the direct synthesis of 2D planar structure from nonlayered materials, especially for the realization of large-size ultrathin 2D nonlayered materials, is still a huge challenge. Here, a general atomic substitution conversion strategy is proposed to synthesize large-size, ultrathin nonlayered 2D materials. Taking nonlayered CdS as a typical example, large-size ultrathin nonlayered CdS single-crystalline flakes are successfully achieved via a facile low-temperature chemical sulfurization method, where pre-grown layered CdI2 flakes are employed as the precursor via a simple hot plate assisted vertical vapor deposition method. The size and thickness of CdS flakes can be controlled by the CdI2 precursor. The growth mechanism is ascribed to the chemical substitution reaction from I to S atoms between CdI2 and CdS, which has been evidenced by experiments and theoretical calculations. The atomic substitution conversion strategy demonstrates that the existing 2D layered materials can serve as the precursor for difficult-to-synthesize nonlayered 2D materials, providing a bridge between layered and nonlayered materials, meanwhile realizing the fabrication of large-size ultrathin nonlayered 2D materials.

Charge Transport in Antiferromagnetic Insulating Phase of Two-Dimensional Organic Conductor λ-(BETS)2FeCl4

2016 ◽  
Vol 85 (6) ◽  
pp. 064703 ◽  
Author(s):  
Shiori Sugiura ◽  
Kazuo Shimada ◽  
Naoya Tajima ◽  
Yutaka Nishio ◽  
Taichi Terashima ◽  
...  
Keyword(s):  
Charge Transport ◽  
Two Dimensional ◽  
Organic Conductor ◽  
Insulating Phase

Theoretical study of charge-transport and optical properties of indeno[1,2-b]fluorene-6,12-dione-based semiconducting materials

2018 ◽  
Vol 74 (6) ◽  
pp. 705-711 ◽  
Author(s):  
Jin-Dou Huang ◽  
Jinfeng Zhao ◽  
Kun Yu ◽  
Xiaohua Huang ◽  
Shi-Bo Cheng ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transport ◽  
Near Infrared ◽  
Reorganization Energy ◽  
Hole Mobility ◽  
Side Chains ◽  
Semiconducting Materials ◽  
Π Stacking ◽  
Electron Transfer Theory ◽  
Reorganization Energies

The conducting and optical properties of a series of indeno[1,2-b]fluorene-6,12-dione (IFD)-based molecules have been systematically studied and the influences of butyl, butylthio and dibutylamino substituents on the reorganization energies, intermolecular electronic couplings and charge-injection barriers of IFD have been discussed. The quantum-chemical calculations combined with electron-transfer theory reveal that the incorporation of sulfur-linked side chains decreases reorganization energy associated with hole transfer and optimizes intermolecular π–π stacking, which results in excellent ambipolar charge-transport properties (μh = 1.15 cm2 V−1 s−1 and μe = 0.08 cm2 V−1 s−1); in comparison, addition of dibutylamino side chains increases intermolecular steric interactions and hinders perfect intermolecular π–π stacking, which results in the weak electronic couplings and finally causes the low intrinsic hole mobility (μh = 0.01 cm2 V−1 s−1). Furthermore, electronic spectra of butyl-IFD, butylthio-IFD and dibutylamino-IFD were simulated and compared with the reported experimental data. Calculations demonstrate that IFD-based molecules possess potential for developing novel infrared and near-infrared probe materials via suitable chemical modifications.

Simulation of hole mobility in two-dimensional systems

2009 ◽  
Vol 24 (3) ◽  
pp. 035016 ◽  
Author(s):  
Luca Donetti ◽  
Francisco Gamiz ◽  
Noel Rodriguez
Keyword(s):  
Hole Mobility ◽  
Two Dimensional

scholarly journals Chemical identification through two-dimensional electron energy-loss spectroscopy

2020 ◽  
Vol 6 (28) ◽  
pp. eabb4713
Author(s):  
Renwen Yu ◽  
F. Javier García de Abajo
Keyword(s):  
Energy Loss ◽  
Electron Energy ◽  
Electron Energy Loss Spectroscopy ◽  
Electronic Device ◽  
Theoretical Calculations ◽  
Chemical Species ◽  
High Sensitivity ◽  
Two Dimensional ◽  
Excitation Spectra ◽  
Electron Energy Loss

We explore a disruptive approach to nanoscale sensing by performing electron energy loss spectroscopy through the use of low-energy ballistic electrons that propagate on a two-dimensional semiconductor. In analogy to free-space electron microscopy, we show that the presence of analyte molecules in the vicinity of the semiconductor produces substantial energy losses in the electrons, which can be resolved by energy-selective electron injection and detection through actively controlled potential gates. The infrared excitation spectra of the molecules are thereby gathered in this electronic device, enabling the identification of chemical species with high sensitivity. Our realistic theoretical calculations demonstrate the superiority of this technique for molecular sensing, capable of performing spectral identification at the zeptomol level within a microscopic all-electrical device.

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