Unveiling the charge migration mechanism in Na2O2: implications for sodium–air batteries

2015 ◽  
Vol 17 (12) ◽  
pp. 8203-8209 ◽  
Author(s):  
Rafael B. Araujo ◽  
Sudip Chakraborty ◽  
Rajeev Ahuja
Keyword(s):  
Charge Carrier ◽  
Charge Transport ◽  
Transport Mechanism ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Charge Transport Mechanism ◽  
Sodium Peroxide ◽  
Charge Migration ◽  
Migration Mechanism ◽  
The Impact

We systematically investigate the charge transport mechanism in sodium peroxide and explore the impact of charge carrier mobility on Na–O2 cell performance.

scholarly journals Elucidating the Impact of Charge Selective Contact in Halide Perovskite Through Impedance Spectroscopy

2019 ◽  
Author(s):  
Mohd Taukeer Khan ◽  
Manuel Salado ◽  
Abdullah R. D. Almohammedi ◽  
Samrana Kazim ◽  
Shahzada Ahmad
Keyword(s):  
Solar Cells ◽  
Impedance Spectroscopy ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Short Circuit ◽  
Perovskite Solar Cells ◽  
Charge Carrier Mobility ◽  
Charge Accumulation ◽  
Frequency Dependent ◽  
The Impact

<p>The electron and hole selective contact (SC) play a pivotal role in the performance of perovskite solar cells. In order to separate the interfacial phenomenon from bulk, the influence of charge SC was elucidated, by means of impedance spectroscopy. The specific role played by TiO<sub>2</sub> and <i>Spiro-OMeTAD</i> as electron and hole SC in perovskite solar cells was investigated at short circuit condition at different temperatures. We have probed MAPbI<sub>3</sub> and (FAPbI<sub>3</sub>)<sub>0.85</sub>(MAPbBr<sub>3</sub>)<sub>0.15 </sub>and elucidated parameters such as charge carrier mobility, recombination resistance, time constant and charge carrier kinetics in perovskite layer and at the interface of perovskite/SC. Charge carrier mobility in mixed perovskite was found to be nearly two order of magnitude higher as compared to MAPbI<sub>3</sub>. Moreover, the carrier mobility in devices with only electron SC was found to be higher as compared only hole SC. The charge accumulation at TiO<sub>2</sub>/perovskite/<i>Spiro</i>-OMeTAD interfaces were studied via frequency dependent capacitance, revealing higher charge accumulation at perovskite/S<i>piro</i>-OMeTAD than at TiO<sub>2</sub>/perovskite interface. By performing varying temperature frequency dependent capacitance measurements the distribution of density of state within the bandgap of the perovskites, the emission rate of electrons from the trap states and traps activation energy was determined. </p>

scholarly journals The impact of hot charge carrier mobility on photocurrent losses in polymer-based solar cells

2014 ◽  
Vol 4 (1) ◽  
Author(s):  
Bronson Philippa ◽  
Martin Stolterfoht ◽  
Paul L. Burn ◽  
Gytis Juška ◽  
Paul Meredith ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
The Impact

Effect of Film Morphology on Charge Transport in C60-based Organic Field Effect Transistors

2010 ◽  
Vol 1270 ◽  
Author(s):  
Mujeeb Ullah ◽  
Andrey K. Kadashchuk ◽  
Philipp Stadler ◽  
Alexander Kharchenko ◽  
Almantas Pivrikas ◽  
...  
Keyword(s):  
Grain Size ◽  
Charge Carrier ◽  
Substrate Temperature ◽  
Charge Transport ◽  
Field Effect ◽  
Carrier Mobility ◽  
Field Effect Transistors ◽  
Charge Carrier Mobility ◽  
Film Morphology ◽  
Organic Field Effect Transistors

AbstractThe critical factor that limits the efficiencies of organic electronic devices is the low charge carrier mobility which is attributed to disorder in organic films. In this work we study the effects of active film morphology on the charge transport in Organic Field Effect Transistors (OFETs). We fabricated the OFETs using different substrate temperature to grow different morphologies of C60 films by Hot Wall Epitaxy. Atomic Force Microscopy images and XRD results showed increasing grain size with increasing substrate temperature. An increase in field effect mobility was observed for different OFETs with increasing grain size in C60 films. The temperature dependence of charge carrier mobility in these devices followed the empirical relation named as Meyer-Neldel Rule and showed different activation energies for films with different degree of disorder. A shift in characteristic Meyer-Neldel energy was observed with changing C60 morphology which can be considered as an energetic disorder parameter.

scholarly journals THEORETICAL INVESTIGATION OF THE EFFECT OF CONJUATION OF THIOPHENE RINGS ON THE CHARGE TRANSPORT OF THIENOCORONENE DERIVATIVES

Química Nova ◽  
2021 ◽  
Author(s):  
Ziran Chen ◽  
Yujin Zhang ◽  
Zhanrong He ◽  
Yuan Li ◽  
Meihao Xi ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Charge Transport ◽  
Carrier Mobility ◽  
Density Functional ◽  
Thiophene Ring ◽  
Energy Charge ◽  
Charge Carrier Mobility ◽  
Basis Set ◽  
Basis Sets ◽  
Hybrid Functional

Based on density functional theory, quantum chemical calculations of the charge-transport rates were performed for five disc-shaped coronene derivatives with varying numbers of fused thiophene rings, using different basis sets 6-31+G(d) and 6-311++G(d,p), hybrid functionals (B3LYP, M06-2X, CAM-B3LYP, WB97XD, M08-HX), and a dispersion-corrected hybrid functional (M06-2X+D3). Our results indicate that increasing the basis set and adding diffusion and polarisation functions had little effect on the molecular reorganisation energy, charge-transport matrix element t, and charge carrier mobility μ. The charge carrier mobility calculated using B3LYP were relatively large, whereas the results calculated using CAM-B3LYP and WB97XD were similar. Among the five coronene derivatives, molecule b with one thiophene ring could be candidates for a n-type organic semiconductor, and molecule c with two thiophene rings can be designed as a p-type semiconductor.

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.

Understanding the Impact of Thiophene/Furan Substitution on Intrinsic Charge-Carrier Mobility

2017 ◽  
Vol 121 (46) ◽  
pp. 25682-25690 ◽  
Author(s):  
Haydar Taylan Turan ◽  
İlhan Yavuz ◽  
Viktorya Aviyente
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
The Impact

scholarly journals Elucidating charge transport mechanisms in cellulose-stabilized graphene inks

2020 ◽  
Vol 8 (43) ◽  
pp. 15086-15091
Author(s):  
Ana C. M. de Moraes ◽  
Jan Obrzut ◽  
Vinod K. Sangwan ◽  
Julia R. Downing ◽  
Lindsay E. Chaney ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Charge Transport ◽  
Ethyl Cellulose ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Transport Mechanisms ◽  
High Charge ◽  
Polymer Stabilizer ◽  
High Charge Carrier Mobility

Thin-films derived from solution-processed graphene inks that use ethyl cellulose as a polymer stabilizer show mixed metallic-semiconducting charge transport with high charge carrier mobility.

Relationship between supramolecular assembly and charge-carrier mobility in perylenediimide derivatives: The impact of side chains

2011 ◽  
Vol 21 (26) ◽  
pp. 9538 ◽  
Author(s):  
Falk May ◽  
Valentina Marcon ◽  
Michael Ryan Hansen ◽  
Ferdinand Grozema ◽  
Denis Andrienko
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Supramolecular Assembly ◽  
Charge Carrier Mobility ◽  
Side Chains ◽  
The Impact

scholarly journals De Novo Calculation of the Charge Carrier Mobility in Amorphous Small Molecule Organic Semiconductors

2021 ◽  
Vol 9 ◽  
Author(s):  
Simon Kaiser ◽  
Tobias Neumann ◽  
Franz Symalla ◽  
Tobias Schlöder ◽  
Artem Fediai ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
De Novo ◽  
Charge Carrier Mobility ◽  
Device Performance ◽  
Zero Field ◽  
Virtual Design

Organic semiconductors (OSC) are key components in applications such as organic photovoltaics, organic sensors, transistors and organic light emitting diodes (OLED). OSC devices, especially OLEDs, often consist of multiple layers comprising one or more species of organic molecules. The unique properties of each molecular species and their interaction determine charge transport in OSCs—a key factor for device performance. The small charge carrier mobility of OSCs compared to inorganic semiconductors remains a major limitation of OSC device performance. Virtual design can support experimental R&amp;D towards accelerated R&amp;D of OSC compounds with improved charge transport. Here we benchmark a de novo multiscale workflow to compute the charge carrier mobility solely on the basis of the molecular structure: We generate virtual models of OSC thin films with atomistic resolution, compute the electronic structure of molecules in the thin films using a quantum embedding procedure and simulate charge transport with kinetic Monte-Carlo protocol. We show that for 15 common amorphous OSC the computed zero-field and field-dependent mobility are in good agreement with experimental data, proving this approach to be an effective virtual design tool for OSC materials and devices.

Effects of substituents on intermolecular interaction, morphology, and charge transport of novel bis-lactam-based molecules

2021 ◽  
Author(s):  
Su-Yeon Kim ◽  
Jin Hong Kim ◽  
Min-Woo Choi ◽  
Ji Eon Kwon ◽  
Soo Young Park
Keyword(s):  
Charge Carrier ◽  
Charge Transport ◽  
Intermolecular Interaction ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
High Charge ◽  
High Charge Carrier Mobility

To elucidate the origin of high charge carrier mobility in the bis-lactam compounds with twisted geometries, we designed and synthesized a series of 3,7-diphenyl-1,5-dioctyl-1,5-naphthyridine-2,6-dione (NTDP) derivatives bearing various substituents (i.e.,...

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