Identifying Charge Transfer Mechanisms across Semiconductor Heterostructures via Surface Dipole Modulation and Multiscale Modeling

2018 ◽  
Vol 140 (41) ◽  
pp. 13223-13232 ◽  
Author(s):  
Ryan T. Pekarek ◽  
Kara Kearney ◽  
Benjamin M. Simon ◽  
Elif Ertekin ◽  
Angus A. Rockett ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Multiscale Modeling ◽  
Semiconductor Heterostructures ◽  
Surface Dipole ◽  
Dipole Modulation ◽  
Transfer Mechanisms

scholarly journals Ab-Initio Study of the Electronic and Magnetic Properties of Boron- and Nitrogen-Doped Penta-Graphene

Nanomaterials ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 816 ◽  
Author(s):  
Chao Zhang ◽  
Yu Cao ◽  
Xing Dai ◽  
Xian-Yong Ding ◽  
Leilei Chen ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Charge Transfer ◽  
First Principles ◽  
Magnetic Moments ◽  
First Principles Calculations ◽  
Electronic Band ◽  
Magnetic Devices ◽  
Spin Polarized ◽  
Electronic Band Gap ◽  
Transfer Mechanisms

First-principles calculations were performed to investigate the effects of boron/nitrogen dopant on the geometry, electronic structure and magnetic properties of the penta-graphene system. It was found that the electronic band gap of penta-graphene could be tuned and varied between 1.88 and 2.12 eV depending on the type and location of the substitution. Moreover, the introduction of dopant could cause spin polarization and lead to the emergence of local magnetic moments. The main origin of the magnetic moment was analyzed and discussed by the examination of the spin-polarized charge density. Furthermore, the direction of charge transfer between the dopant and host atoms could be attributed to the competition between the charge polarization and the atomic electronegativity. Two charge-transfer mechanisms worked together to determine which atoms obtained electrons. These results provide the possibility of modifying penta-graphene by doping, making it suitable for future applications in the field of optoelectronic and magnetic devices.

Metal–semiconductor heterostructures for surface-enhanced Raman scattering: synergistic contribution of plasmons and charge transfer

2021 ◽  
Author(s):  
Yawen Liu ◽  
Hao Ma ◽  
Xiao Xia Han ◽  
Bing Zhao
Keyword(s):  
Charge Transfer ◽  
Raman Scattering ◽  
Building Blocks ◽  
Surface Enhanced Raman Scattering ◽  
Semiconductor Heterostructures ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Enhanced Raman Scattering

SERS on metal–semiconductor heterostructures including their building blocks, enhancement mechanisms and applications was reviewed. The synergistic contribution of plasmons and charge transfer is highlighted.

Uncovering alternate charge transfer mechanisms in Escherichia coli chemically functionalized with conjugated oligoelectrolytes

2014 ◽  
Vol 50 (60) ◽  
pp. 8223-8226 ◽  
Author(s):  
Victor Bochuan Wang ◽  
Natalia Yantara ◽  
Teck Ming Koh ◽  
Staffan Kjelleberg ◽  
Qichun Zhang ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Electron Transfer ◽  
Charge Transfer ◽  
Extracellular Electron Transfer ◽  
Transfer Mechanisms

Conjugated oligoelectrolytes integrated in Escherichia coli have been proposed to induce release of electroactive cytosolic components, which contributes to extracellular electron transfer.

Towards direct enzyme wiring: a theoretical investigation of charge carrier transfer mechanisms between glucose oxidase and organic semiconductors

2019 ◽  
Vol 21 (6) ◽  
pp. 2968-2976 ◽  
Author(s):  
Gintautas Bagdžiūnas ◽  
Arūnas Ramanavičius
Keyword(s):  
Charge Transfer ◽  
Charge Carrier ◽  
Glucose Oxidase ◽  
Organic Semiconductors ◽  
Theoretical Investigation ◽  
Glucose Biosensors ◽  
Carrier Transfer ◽  
Amperometric Glucose Biosensors ◽  
Transfer Mechanisms

We have evaluated charge transfer between enzyme glucose oxidase (GOx) and organic semiconductors, both of which were applied in the design of amperometric glucose biosensors.

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