Widely tunable and anisotropic charge carrier mobility in monolayer tin(ii) selenide using biaxial strain: a first-principles study

2017 ◽  
Vol 5 (5) ◽  
pp. 1247-1254 ◽  
Author(s):  
Mei Zhou ◽  
Xiaobin Chen ◽  
Menglei Li ◽  
Aijun Du
Keyword(s):  
Charge Carrier ◽  
Transport Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Compressive Strain ◽  
Charge Carrier Mobility ◽  
Biaxial Strain ◽  
First Principles Study ◽  
Biaxial Tensile

Our first-principles study demonstrate that biaxial tensile/compressive strain is vital in manipulating transport properties of monolayer SnSe.

The Unique Carrier Mobility of Monolayer Janus MoSSe Nanoribbons: A First-Principles Study

2021 ◽  
Author(s):  
Wenjin Yin ◽  
Yu Liu ◽  
Bo Wen ◽  
Xi-Bo Li ◽  
Yi-Feng Chai ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Transport Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Semiconductor Materials ◽  
Nanoscale Devices ◽  
First Principles Study ◽  
Determining Factor

Charge-carrier mobility is a determining factor for the transport properties of semiconductor materials, and strongly related to the opto-electronics performance of nanoscale devices. Here, we investigate the electronic properties and...

Theoretical investigations of the substituent effect on the electronic and charge transport properties of butterfly molecules

2019 ◽  
Vol 43 (31) ◽  
pp. 12440-12452
Author(s):  
Lijuan Wang ◽  
Jianhong Dai ◽  
Yan Song
Keyword(s):  
Charge Carrier ◽  
Charge Transport ◽  
Transport Properties ◽  
Substituent Effect ◽  
Carrier Mobility ◽  
Crystal Packing ◽  
Charge Carrier Mobility ◽  
Theoretical Investigations

Introducing different substituents into the pyrene core leads to different crystal packing motifs, and the charge carrier mobility can be effectively modulated by the introduction of electron-donating and electron-withdrawing groups.

scholarly journals Structural, electronic, and optical properties of cubic formamidinium lead iodide perovskite: a first-principles investigation

RSC Advances ◽  
2020 ◽  
Vol 10 (54) ◽  
pp. 32364-32369
Author(s):  
Sanjun Wang ◽  
Wen-bo Xiao ◽  
Fei Wang
Keyword(s):  
Optical Properties ◽  
Charge Carrier ◽  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Detailed Structure ◽  
Lead Iodide ◽  
Theoretical Methods ◽  
Band Splitting

Different theoretical methods, including SOC effects, were used to study the detailed structure, electronic properties, charge-carrier mobility, and SOC-induced Rashba k-dependent band splitting in FAPbI3.

scholarly journals Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation

2015 ◽  
Vol 6 ◽  
pp. 1107-1115 ◽  
Author(s):  
Andrea Magri ◽  
Pascal Friederich ◽  
Bernhard Schäfer ◽  
Valeria Fattori ◽  
Xiangnan Sun ◽  
...  
Keyword(s):  
Thin Film ◽  
Charge Carrier ◽  
Transport Properties ◽  
Electron Mobility ◽  
Carrier Mobility ◽  
Hole Mobility ◽  
Charge Carrier Mobility ◽  
The Other ◽  
Theoretical Simulation ◽  
Excimer Formation

We have studied the electronic properties and the charge carrier mobility of the organic semiconductor tris(1-oxo-1H-phenalen-9-olate)aluminium(III) (Al(Op)3) both experimentally and theoretically. We experimentally estimated the HOMO and LUMO energy levels to be −5.93 and −3.26 eV, respectively, which were close to the corresponding calculated values. Al(Op)3 was successfully evaporated onto quartz substrates and was clearly identified in the absorption spectra of both the solution and the thin film. A structured steady state fluorescence emission was detected in solution, whereas a broad, red-shifted emission was observed in the thin film. This indicates the formation of excimers in the solid state, which is crucial for the transport properties. The incorporation of Al(Op)3 into organic thin film transistors (TFTs) was performed in order to measure the charge carrier mobility. The experimental setup detected no electron mobility, while a hole mobility between 0.6 × 10−6 and 2.1 × 10−6 cm2·V−1·s−1 was measured. Theoretical simulations, on the other hand, predicted an electron mobility of 9.5 × 10−6 cm2·V−1·s−1 and a hole mobility of 1.4 × 10−4 cm2·V−1·s−1. The theoretical simulation for the hole mobility predicted an approximately one order of magnitude higher hole mobility than was observed in the experiment, which is considered to be in good agreement. The result for the electron mobility was, on the other hand, unexpected, as both the calculated electron mobility and chemical common sense (based on the capability of extended aromatic structures to efficiently accept and delocalize additional electrons) suggest more robust electron charge transport properties. This discrepancy is explained by the excimer formation, whose inclusion in the multiscale simulation workflow is expected to bring the theoretical simulation and experiment into agreement.

Current Conduction in Poly(3-Hexylthiophene) and in Poly(3- Hexylthiophene) doped [6,6]-Phenyl C61-Butyric Acid Methylester Composite Thin Film Devices

2012 ◽  
Vol 67 (10-11) ◽  
pp. 589-600 ◽  
Author(s):  
Zivayi Chiguvare ◽  
Jürgen Parisi
Keyword(s):  
Charge Carrier ◽  
Space Charge ◽  
Transport Properties ◽  
Butyric Acid ◽  
Low Temperatures ◽  
Carrier Mobility ◽  
Short Circuit ◽  
Charge Carrier Mobility ◽  
Current Limit ◽  
Metal Insulator Metal

Transport properties of poly(3-hexylthiophene) (P3HT), and of its blend with [6,6]-phenyl C61- butyric acid methylester (PCBM), were studied by analysing temperature dependent current-voltage characteristics of spin cast thin films sandwiched between aluminium electrodes in a metal-insulator- metal (MIM) configuration. It was found that in Al/P3HT/Al devices, the current is limited by space charge that accumulates near the hole injecting electrode due to the poor bulk transport properties of P3HT. At low temperatures and high applied electric fields the current density obeys a power law of the form J _ Vm, characteristic of space charge limited current (SCLC) in the presence of exponentially distributed traps within the band gap. These traps are filled by charge that is injected by quantum mechanical tunnelling, which is adequately described by the Fowler-Nordheim (FN) theory. By calculating the majority charge carrier mobility in Al/P3HT/Al and Al/P3HT:PCBM/Al devices from the Ohmic, SCLC, and FN tunnelling fits at different temperatures, we have obtained that the charge carrier mobility in P3HT is two orders smaller than the electron mobility in the P3HT:PCBM blend at room temperature, but comparable at low temperatures. This information is important in determining the origin of open circuit voltage and short circuit current limit in solar cells that employ this blend as the active layer.

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