Electrochemical, spectroelectrochemical, and electrochromic characterization of silicon(IV) phthalocyanine with axially ligated electropolymerizable 3,4-ethylenedioxythiophene moieties

Yıldız, Burak; Budak, Özlem; Koca, Atıf; Şener, M. Kasım

doi:10.1016/j.dyepig.2024.111958

Dyes and Pigments

2024

DOI: 10.1016/j.dyepig.2024.111958

|View full text |Cite

Electrochemical, spectroelectrochemical, and electrochromic characterization of silicon(IV) phthalocyanine with axially ligated electropolymerizable 3,4-ethylenedioxythiophene moieties

Burak Yıldız,

Özlem Budak,

Atıf Koca

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article3

Relationship

Self Cite0

Independent3

Authors

Journals

Cited by 3 publications

References 49 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Bifunctional D-A type conjugated polymer based on triarylamine-containing oxazole[5,4-d]oxazole/thiazolo[5,4-d]thiazole exhibiting electrofluorochromism and reversible electrochromism

Dong,

Hu,

et al. 2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

View full text Add to dashboard Cite

Bifunctional D-A type conjugated polymer based on triarylamine-containing oxazole[5,4-d]oxazole/thiazolo[5,4-d]thiazole exhibiting electrofluorochromism and reversible electrochromism

Dong,

Hu,

et al. 2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

View full text Add to dashboard Cite

Fluoridation of D–A Ambipolar Polymers to Accelerate Ion Migration toward High-Performance Symmetric Dual-Ion Energy Storage Devices

Hou,

Han,

Wang

et al. 2024

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

First principles study of electronic structure of x-form phthalocyanine crystals doped with one-dimensional iodine atomic chains

Inaoka

2024

AIP Advances

View full text Add to dashboard Cite

The x-form phthalocyanine (Pc) crystal is composed of a square-lattice arrangement of one-dimensional and double-period molecular chains with molecular planes normal to the stacking direction, and doped iodine (I) atomic chains between these molecular chains are known to induce the insulator-metal transition. Using the van der Waals density functional method, we investigate the electronic structure of a single x-form silicon Pc (x-SiPc) chain and the x-SiPc crystal undoped and doped with I atomic chains in a comparative manner. Although a SiPc molecule has a Si pz derived orbital just above the LUMO, the aligned Si atoms in x-crystals, each of which is at the center of the molecular plane, dimerize in the stacking direction, which prevents formation of a Si metallic band. In a single SiPc chain, two molecules in each primitive unit cell are stacked face-to-face with a staggering angle of 45°. However, when these molecular chains aggregate to create x-crystals, the staggering angle deviates from 45° to about 40° to form H–H bonding orbitals like H2 molecules between neighboring molecular planes in the lateral direction. Doping of the I atomic chains converts half-filling of the doubly degenerate bands to a lower band occupancy, which corresponds to the insulator-metal transition observed experimentally. The equally spaced I atomic chains create a metallic band due to pz-orbital overlapping with an effective-mass ratio of 0.15. Although the SiPc chains operate to create equally spaced I atomic chains, the effect of I atoms trying to trimerize is larger. This trimerization prevents pz orbitals of I atoms from making a metallic band.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Electrochemical, spectroelectrochemical, and electrochromic characterization of silicon(IV) phthalocyanine with axially ligated electropolymerizable 3,4-ethylenedioxythiophene moieties

Cited by 3 publications

References 49 publications

Bifunctional D-A type conjugated polymer based on triarylamine-containing oxazole[5,4-d]oxazole/thiazolo[5,4-d]thiazole exhibiting electrofluorochromism and reversible electrochromism

Bifunctional D-A type conjugated polymer based on triarylamine-containing oxazole[5,4-d]oxazole/thiazolo[5,4-d]thiazole exhibiting electrofluorochromism and reversible electrochromism

Fluoridation of D–A Ambipolar Polymers to Accelerate Ion Migration toward High-Performance Symmetric Dual-Ion Energy Storage Devices

First principles study of electronic structure of x-form phthalocyanine crystals doped with one-dimensional iodine atomic chains

Contact Info

Product

Resources

About