A Computational Probe Granting Insight into Intra and Inter-Stacking Interactions in Squaraine Dye Derivatives

2021 ◽  
Author(s):  
Krishana Chaitanya Gunturu ◽  
Carola Schulzke
Keyword(s):  
Structure Function ◽  
Functional Materials ◽  
Optoelectronic Properties ◽  
Stacking Interactions ◽  
Squaraine Dye ◽  
Insight Into

In order to decipher structure function relationships regarding the optoelectronic properties of organic functional materials, two sets of anilinosquaraine dye derivatives were analysed computationally. 2,4-Bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine exhibits orthorhombic and monoclinic polymorphs...

scholarly journals Correction: A computational probe granting insight into intra and inter-stacking interactions in squaraine dye derivatives

2021 ◽  
Author(s):  
Krishna Chaitanya Gunturu ◽  
Carola Schulzke
Keyword(s):  
Chem Phys ◽  
Stacking Interactions ◽  
Squaraine Dye ◽  
Insight Into ◽  
Phys Chem Chem Phys

Correction for ‘A computational probe granting insight into intra and inter-stacking interactions in squaraine dye derivatives’ by Krishna Chaitanya Gunturu et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/D1CP01387D.

scholarly journals Indirect bandgap, optoelectronic properties, and photoelectrochemical characteristics of high-purity Ta3N5 photoelectrodes

2021 ◽  
Vol 9 (36) ◽  
pp. 20653-20663
Author(s):  
Johanna Eichhorn ◽  
Simon P. Lechner ◽  
Chang-Ming Jiang ◽  
Giulia Folchi Heunecke ◽  
Frans Munnik ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
High Purity ◽  
Optoelectronic Properties ◽  
Precise Control ◽  
Insight Into

The (opto)electronic properties of Ta3N5 photoelectrodes are often dominated by defects, but precise control of these defects provides new insight into the electronic structure, photocarrier transport, and photoelectrochemical function.

scholarly journals Synthesis, Crystallography, Microstructure, Crystal Defects, Optical and Optoelectronic Properties of ZnO:CeO2 Mixed Oxide Thin Films

Photonics ◽  
2020 ◽  
Vol 7 (4) ◽  
pp. 112
Author(s):  
Qais M. Al-Bataineh ◽  
Mahmoud Telfah ◽  
Ahmad A. Ahmad ◽  
Ahmad M. Alsaad ◽  
Issam A. Qattan ◽  
...  
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Refractive Index ◽  
Mixed Oxide ◽  
Visible Region ◽  
Functional Materials ◽  
Crystal Defects ◽  
Optoelectronic Properties ◽  
Oxide Thin Films ◽  
Pure Ceo2

We report the synthesis and characterization of pure ZnO, pure CeO2, and ZnO:CeO2 mixed oxide thin films dip-coated on glass substrates using a sol-gel technique. The structural properties of as-prepared thin film are investigated using the XRD technique. In particular, pure ZnO thin film is found to exhibit a hexagonal structure, while pure CeO2 thin film is found to exhibit a fluorite cubic structure. The diffraction patterns also show the formation of mixed oxide materials containing well-dispersed phases of semi-crystalline nature from both constituent oxides. Furthermore, optical properties of thin films are investigated by performing UV–Vis spectrophotometer measurements. In the visible region, transmittance of all investigated thin films attains values as high as 85%. Moreover, refractive index of pure ZnO film was found to exhibit values ranging between 1.57 and 1.85 while for CeO2 thin film, it exhibits values ranging between 1.73 and 2.25 as the wavelength of incident light decreases from 700 nm to 400 nm. Remarkably, refractive index of ZnO:CeO2 mixed oxide-thin films are tuned by controlling the concentration of CeO2 properly. Mixed oxide-thin films of controllable refractive indices constitute an important class of smart functional materials. We have also investigated the optoelectronic and dispersion properties of ZnO:CeO2 mixed oxide-thin films by employing well-established classical models. The melodramatic boost of optical and optoelectronic properties of ZnO:CeO2 mixed oxide thin films establish a strong ground to modify these properties in a skillful manner enabling their use as key potential candidates for the fabrication of scaled optoelectronic devices and thin film transistors.

scholarly journals Liquid-phase exfoliated graphene: functionalization, characterization, and applications

2014 ◽  
Vol 5 ◽  
pp. 2328-2338 ◽  
Author(s):  
Mildred Quintana ◽  
Jesús Iván Tapia ◽  
Maurizio Prato
Keyword(s):  
Organic Chemistry ◽  
Liquid Phase ◽  
Chemical Reactions ◽  
Functional Materials ◽  
Atomic Plane ◽  
Graphene Sheets ◽  
Exfoliated Graphene ◽  
Graphene Functionalization ◽  
Chemical Strategies ◽  
Insight Into

The development of chemical strategies to render graphene viable for incorporation into devices is a great challenge. A promising approach is the production of stable graphene dispersions from the exfoliation of graphite in water and organic solvents. The challenges involve the production of a large quantity of graphene sheets with tailored distribution in thickness, size, and shape. In this review, we present some of the recent efforts towards the controlled production of graphene in dispersions. We also describe some of the chemical protocols that have provided insight into the vast organic chemistry of the single atomic plane of graphite. Controlled chemical reactions applied to graphene are expected to significantly improve the design of hierarchical, functional platforms, driving the inclusion of graphene into advanced functional materials forward.

scholarly journals Fully sp 2 ‐Carbon‐Linked Crystalline Two‐Dimensional Conjugated Polymers: Insight into 2D Poly(phenylenecyanovinylene) Formation and its Optoelectronic Properties

2019 ◽  
Vol 25 (26) ◽  
pp. 6562-6568 ◽  
Author(s):  
Daniel Becker ◽  
Bishnu P. Biswal ◽  
Paula Kaleńczuk ◽  
Naisa Chandrasekhar ◽  
Lars Giebeler ◽  
...  
Keyword(s):  
Conjugated Polymers ◽  
Optoelectronic Properties ◽  
Two Dimensional ◽  
Insight Into

Crystal structures and electronic properties of Sn3N4 polymorphs synthesized via high-pressure nitridation of tin

CrystEngComm ◽  
2020 ◽  
Vol 22 (20) ◽  
pp. 3531-3538
Author(s):  
Ken Niwa ◽  
Tomoya Inagaki ◽  
Tetsu Ohsuna ◽  
Zheng Liu ◽  
Takuya Sasaki ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Crystal Structures ◽  
Crystal Chemistry ◽  
Diamond Anvil Cell ◽  
Functional Materials ◽  
Group Iva ◽  
Diamond Anvil ◽  
Laser Heated ◽  
Insight Into

Sn3N4 polymorphs were synthesized via high-pressure nitridation of tin by means of laser-heated diamond anvil cell technique. This implies new insight into the crystal chemistry and functional materials of group IVA nitrides.

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