scholarly journals Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations

2020 ◽  
Vol 142 (22) ◽  
pp. 9955-9965 ◽  
Author(s):  
Kshatresh Dutta Dubey ◽  
Thijs Stuyver ◽  
Surajit Kalita ◽  
Sason Shaik
Keyword(s):  
Electric Fields ◽  
Rate Regulation ◽  
External Electric Fields ◽  
Menshutkin Reaction

scholarly journals Emulsions in external electric fields

2021 ◽  
pp. 102455
Author(s):  
Johan Sjöblom ◽  
Sameer Mhatre ◽  
Sébastien Simon ◽  
Roar Skartlien ◽  
Geir Sørland
Keyword(s):  
Electric Fields ◽  
External Electric Fields

scholarly journals Vacancy tuned thermoelectric properties and high spin filtering performance in graphene/silicene heterostructures

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Zainab Gholami ◽  
Farhad Khoeini
Keyword(s):  
Electric Fields ◽  
High Spin ◽  
High Efficiency ◽  
Practical Applications ◽  
External Electric Fields ◽  
Ferromagnetic Exchange ◽  
High Spin Polarization ◽  
Filtering Effect ◽  
Spin Switching ◽  
Spin Filtering

AbstractThe main contribution of this paper is to study the spin caloritronic effects in defected graphene/silicene nanoribbon (GSNR) junctions. Each step-like GSNR is subjected to the ferromagnetic exchange and local external electric fields, and their responses are determined using the nonequilibrium Green’s function (NEGF) approach. To further study the thermoelectric (TE) properties of the GSNRs, three defect arrangements of divacancies (DVs) are also considered for a larger system, and their responses are re-evaluated. The results demonstrate that the defected GSNRs with the DVs can provide an almost perfect thermal spin filtering effect (SFE), and spin switching. A negative differential thermoelectric resistance (NDTR) effect and high spin polarization efficiency (SPE) larger than 99.99% are obtained. The system with the DV defects can show a large spin-dependent Seebeck coefficient, equal to Ss ⁓ 1.2 mV/K, which is relatively large and acceptable. Appropriate thermal and electronic properties of the GSNRs can also be obtained by tuning up the DV orientation in the device region. Accordingly, the step-like GSNRs can be employed to produce high efficiency spin caloritronic devices with various features in practical applications.

scholarly journals Cisplatin under oriented external electric fields: A deeper insight into electrochemotherapy at the molecular level

2020 ◽  
Author(s):  
Li Zhang ◽  
Ya‐Ling Ye ◽  
Xiao‐Ling Zhang ◽  
Xiang‐Hui Li ◽  
Qiao‐Hong Chen ◽  
...  
Keyword(s):  
Electric Fields ◽  
Molecular Level ◽  
External Electric Fields ◽  
Insight Into

An experimental and simulation study on the self-assembly of colloidal cubes in external electric fields

Soft Matter ◽  
2014 ◽  
Vol 10 (45) ◽  
pp. 9110-9119 ◽  
Author(s):  
Hanumantha Rao Vutukuri ◽  
Frank Smallenburg ◽  
Stéphane Badaire ◽  
Arnout Imhof ◽  
Marjolein Dijkstra ◽  
...  
Keyword(s):  
Electric Fields ◽  
Simulation Study ◽  
Self Assembly ◽  
The Self ◽  
External Electric Fields

Thermodynamic aspects of epitaxial self-assembly and magnetoelectric response in multiferroic nanostructures

2007 ◽  
Vol 22 (8) ◽  
pp. 2087-2095 ◽  
Author(s):  
Julia Slutsker ◽  
Zhuopeng Tan ◽  
Alexander L. Roytburd ◽  
Igor Levin
Keyword(s):  
Electric Fields ◽  
Self Assembly ◽  
Electromagnetic Coupling ◽  
Hysteretic Behavior ◽  
Microscopic Mechanism ◽  
Magnetic Nanorods ◽  
External Electric Fields ◽  
Multiferroic Films ◽  
Magnetoelectric Response ◽  
Theoretical Results

A thermodynamic approach was used to describe the formation and magnetoelectric response of composite multiferroic films. Experimental and theoretical results that address the origins of different phase morphologies in epitaxial spinel-perovskite nanostructures grown on differently oriented substrates are presented. A theoretical model of magnetoelectric coupling in multiferroic nanostructures that considers a microscopic mechanism of magnetization in single-domain magnetic nanorods is described. This model explains a discontinuous electromagnetic coupling, as observed experimentally, and predicts a hysteretic behavior of magnetization under external electric fields.

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