Amino-acid interactions with the Au(111) surface: adsorption, band alignment, and interfacial electronic coupling

2021 ◽  
Author(s):  
Zdenek Futera
Keyword(s):  
Charge Transfer ◽  
Amino Acid ◽  
Electronic Properties ◽  
Surface Adsorption ◽  
Band Alignment ◽  
Electronic Coupling ◽  
Interfacial Coupling ◽  
Adsorption Band ◽  
Metallic Interfaces

Electronic properties of tryptophan, its band alignment to gold states and strong interfacial coupling, make this amino acid particularly suitable for charge transfer on heterogeneous bio-metallic interfaces.

Tuning the electronic properties and band alignment of GeSe/phosphorene lateral heterostructure

2021 ◽  
Vol 195 ◽  
pp. 110501
Author(s):  
Jingjing Ye ◽  
Yang Yang ◽  
Dewei Rao ◽  
Yandong Guo ◽  
Xiaohong Yan
Keyword(s):  
Electronic Properties ◽  
Band Alignment ◽  
Lateral Heterostructure

Enantioselective Nucleophilic Aromatic Substitution Reaction of Azlactones to Synthesize Quaternary α-Amino Acid Derivatives

Synlett ◽  
2020 ◽  
Author(s):  
Xiaohua Liu ◽  
Yi Li ◽  
Hao Pan ◽  
Wang-Yuren Li ◽  
Xiaoming Feng
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Amino Acid ◽  
Substitution Reaction ◽  
Nucleophilic Aromatic Substitution ◽  
Amino Acid Derivatives ◽  
Amino Acid Esters ◽  
Aromatic Substitution ◽  
Charge Transfer Interaction ◽  
Acid Esters

AbstractAn asymmetric organocatalytic nucleophilic aromatic substitution reaction of azlactones with electron-deficient aryls was established. A variety of α-aryl α-alkyl α-amino acid esters and peptides were obtained in decent yields and stereoselectivities. A new bifunctional catalytic mode involving charge-transfer interaction and hydrogen bonding is proposed to explain the enantioselectivity.

Ruthenium-Amine Electronic Coupling Bridged through Phen-1,3-diyl Versus Phen-1,4-diyl: Reverse of the Charge Transfer Direction

2013 ◽  
Vol 32 (16) ◽  
pp. 4564-4570 ◽  
Author(s):  
Jian-Hong Tang ◽  
Si-Hai Wu ◽  
Jiang-Yang Shao ◽  
Hai-Jing Nie ◽  
Yu-Wu Zhong
Keyword(s):  
Charge Transfer ◽  
Electronic Coupling ◽  
Transfer Direction

scholarly journals Layer-resolved many-electron interactions in delafossite PdCoO2 from standing-wave photoemission spectroscopy

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Qiyang Lu ◽  
Henrique Martins ◽  
Juhan Matthias Kahk ◽  
Gaurab Rimal ◽  
Seongshik Oh ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Standing Wave ◽  
Three Dimensional ◽  
Photoemission Spectroscopy ◽  
Electronic Coupling ◽  
Many Body ◽  
X Ray ◽  
Charge Transfer Excitons ◽  
Many Body Interactions ◽  
Electron Interactions

AbstractWhen a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example is the delafossite PdCoO2, which consists of alternating layers of metallic Pd and Mott-insulating CoO2 sheets. To understand the nature of the electronic coupling between the layers that gives rise to the unique properties of PdCoO2, we revealed its layer-resolved electronic structure combining standing-wave X-ray photoemission spectroscopy and ab initio many-body calculations. Experimentally, we have decomposed the measured VB spectrum into contributions from Pd and CoO2 layers. Computationally, we find that many-body interactions in Pd and CoO2 layers are highly different. Holes in the CoO2 layer interact strongly with charge-transfer excitons in the same layer, whereas holes in the Pd layer couple to plasmons in the Pd layer. Interestingly, we find that holes in states hybridized across both layers couple to both types of excitations (charge-transfer excitons or plasmons), with the intensity of photoemission satellites being proportional to the projection of the state onto a given layer. This establishes satellites as a sensitive probe for inter-layer hybridization. These findings pave the way towards a better understanding of complex many-electron interactions in layered quantum materials.

Growth direction dependent separate-channel charge transport in organic weak charge-transfer co-crystal of anthracene-DTTCNQ

2022 ◽  
Author(s):  
Hui Jiang ◽  
Jun Ye ◽  
Peng Hu ◽  
Shengli Zhu ◽  
Yanqin Liang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Electronic Properties ◽  
Single Crystals ◽  
Organic Semiconductors ◽  
Crystal Engineering ◽  
Molecular Crystal ◽  
Growth Direction ◽  
Weak Charge ◽  
Separate Channel

Co-crystallization is an efficient way of molecular crystal engineering to tune the electronic properties of organic semiconductors. In this work, we synthesized anthracene-4,8-bis(dicyanomethylene)4,8-dihydrobenzo[1,2-b:4,5-b’]-dithiophene (DTTCNQ) single crystals as a template to...

Vertical strain and electric field tunable electronic properties of type-II band alignment C2N/InSe van der Waals heterostructure

2019 ◽  
Vol 716 ◽  
pp. 155-161 ◽  
Author(s):  
Khang D. Pham ◽  
Nguyen N. Hieu ◽  
Le M. Bui ◽  
Huynh V. Phuc ◽  
Bui D. Hoi ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
Vertical Strain ◽  
Van Der Waals Heterostructure

Core Level Shifts and Grain Boundary Cohesion

1998 ◽  
Vol 4 (S2) ◽  
pp. 766-767
Author(s):  
D. A. Muller
Keyword(s):  
Charge Transfer ◽  
Valence Band ◽  
Core Level ◽  
Level Shift ◽  
The Core ◽  
Metallic Interfaces ◽  
Level Shifts ◽  
Electron Energy Loss ◽  
Valence Band Width

The role of core level shifts at metallic interfaces has often been ignored in electron energy loss spectroscopy (EELS) even though very small changes in bond length can lead to large core level shifts. However, the popular interpretation of core level shifts as measures of charge transfer is highly problematic. For instance, in binary alloys systems, the core level shifts can be the same sign for both atomic constituents[l]. The simple interpretation would require that both atomic species had lost or gained charge. Further, the signs of the core level shifts can be opposite to those expected from electronegativity arguments[2]. A core level shift (CLS) is still possible, even when no charge transfer occurs. As illustrated in Fig. 1, if the valence band width is increased, the position of the center of the valence band with respect to the Fermi energy will change (as the number of electrons remains unchanged).

scholarly journals Rich p -type-doping phenomena in boron-substituted silicene systems

2020 ◽  
Vol 7 (12) ◽  
pp. 200723
Author(s):  
Hai Duong Pham ◽  
Wu-Pei Su ◽  
Thi Dieu Hien Nguyen ◽  
Ngoc Thanh Thuy Tran ◽  
Ming-Fa Lin
Keyword(s):  
Charge Transfer ◽  
Fermi Level ◽  
Charge Density ◽  
Electronic Properties ◽  
First Principles ◽  
Chemical Environment ◽  
First Principles Calculations ◽  
Density Distributions ◽  
Essential Properties ◽  
P Type

The essential properties of monolayer silicene greatly enriched by boron substitutions are thoroughly explored through first-principles calculations. Delicate analyses are conducted on the highly non-uniform Moire superlattices, atom-dominated band structures, charge density distributions and atom- and orbital-decomposed van Hove singularities. The hybridized 2 p z –3 p z and [2s, 2 p x , 2 p y ]–[3s, 3 p x , 3 p y ] bondings, with orthogonal relations, are obtained from the developed theoretical framework. The red-shifted Fermi level and the modified Dirac cones/ π bands/ σ bands are clearly identified under various concentrations and configurations of boron-guest atoms. Our results demonstrate that the charge transfer leads to the non-uniform chemical environment that creates diverse electronic properties.

Tunable electronic properties of GaS-SnS2 heterostructure by strain and electric field

2021 ◽  
Author(s):  
Dahua Ren ◽  
Qiang Li ◽  
Kai Qian ◽  
Xingyi Tan
Keyword(s):  
Optical Properties ◽  
Electric Field ◽  
Visible Light ◽  
Electronic Properties ◽  
Electronic Structures ◽  
Density Functional ◽  
Band Alignment ◽  
Promising Candidate ◽  
Functional Theory ◽  
External Strain

Abstract Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties. In this work, we have studied the structural, electronic and optical properties of vertically stacked GaS-SnS2 heterostructure under the frame of density functional theory. We find that the stacked GaS-SnS2 heterostructure is a semiconductor with suitable indirect band gaps of 1.82 eV, exhibiting a type-II band alignment for easily separating the photo-generated carriers. The electronic properties of GaS-SnS2 heterostructure can be effectively tuned by external strain and electric field. The optical absorption of GaS-SnS2 heterostructure is more enhanced by comparison with the GaS monolayer and SnS2 monolayer in the visible light. Our results suggest that GaS-SnS2 heterostructure is a promising candidate for the photocatalyst and photoelectronic devices in visible light.

Interfacial electronic coupling and band alignment of P3HT and exfoliated black phosphorous van der Waals heterojunctions

2020 ◽  
pp. 148455
Author(s):  
Yunier Garcia-Basabe ◽  
Vanessa Orsi Gordo ◽  
Lara M. Daminelli ◽  
Cesar D. Mendoza ◽  
Flavio C. Vicentin ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Band Alignment ◽  
Electronic Coupling ◽  
Black Phosphorous
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