Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices – a DFT analysis

K. A., Asnafarsin; V. S., Anithaa; Balakrishnan, Abhayram; Suresh, Rahul; Hernandez, Norge Cruz; Subramaniam, Vijayakumar

doi:10.1039/d3cp04928k

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp04928k

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Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices – a DFT analysis

Asnafarsin K. A.,

Anithaa V. S.,

Abhayram Balakrishnan

et al.

Abstract: In this paper, we adopt Density Functional Theory (DFT) to investigate the structural and electronic properties of monolayer and bilayer 2-D porphyrin sheets (PS) of covalent organic frameworks (COFs) upon...

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Cited by 3 publications

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Efficient Electrochromic Electrode Materials Based on WO₃/Ni(OH)₂ with Dual Ion Implantation Modulability and Energy Level Matching

Nie,

Lian,

Han

et al. 2024

Adv Materials Technologies

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Electrochromic materials have received a lot of attention due to dramatic growth of the smart window market and the demand in various emerging fields. In this study, WO3/Ni(OH)2 composite high efficient electrochromic electrode materials are prepared by hydrothermal‐annealing and electrodeposition methods. It is observed by experimental characterization that the deposition of Ni(OH)2 on WO3 rods effectively increased the Li+ diffusion rate of WO3 films (2.069 × 10−10 cm2 s−1), which is ≈1.5 times higher than that of pure WO3 (1.413 × 10−10 cm2 s−1). Meanwhile, WO3 and Ni(OH)2 have relatively matched energy level structures, showing high overall optical modulation performance. In addition, density functional theory (DFT) calculations combined with electrochemical studies reveal that the injection of double ions can improve the reaction efficiency of the electrodes and promote the redox reaction, which makes the electrochemical reaction more efficient. This paper provides a practical method for designing multi‐component electrochromic devices with excellent performance.

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Efficient Electrochromic Electrode Materials Based on WO₃/Ni(OH)₂ with Dual Ion Implantation Modulability and Energy Level Matching

Nie,

Lian,

Han

et al. 2024

Adv Materials Technologies

View full text Add to dashboard Cite

show abstract

Exploring the fascinating interplay of epigenetically modified DNA bases with two dimensional bare and P-doped Si2BN and BN sheets for biosensing applications: A compelling DFT perspective

Muralidharan,

Subramani,

Arumugam

et al. 2024

International Journal of Biological Macromolecules

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Metalation of porphyrin units in a porous organic polymer stabilizing its anodic cycling performance in lithium-ion battery

Fu,

Wang,

Yan

et al. 2025

Journal of Power Sources

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Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices – a DFT analysis

Abstract: In this paper, we adopt Density Functional Theory (DFT) to investigate the structural and electronic properties of monolayer and bilayer 2-D porphyrin sheets (PS) of covalent organic frameworks (COFs) upon...

Cited by 3 publications

References 94 publications

Efficient Electrochromic Electrode Materials Based on WO₃/Ni(OH)₂ with Dual Ion Implantation Modulability and Energy Level Matching

Efficient Electrochromic Electrode Materials Based on WO₃/Ni(OH)₂ with Dual Ion Implantation Modulability and Energy Level Matching

Exploring the fascinating interplay of epigenetically modified DNA bases with two dimensional bare and P-doped Si2BN and BN sheets for biosensing applications: A compelling DFT perspective

Metalation of porphyrin units in a porous organic polymer stabilizing its anodic cycling performance in lithium-ion battery

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Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices – a DFT analysis

Abstract: In this paper, we adopt Density Functional Theory (DFT) to investigate the structural and electronic properties of monolayer and bilayer 2-D porphyrin sheets (PS) of covalent organic frameworks (COFs) upon...

Cited by 3 publications

References 94 publications

Efficient Electrochromic Electrode Materials Based on WO3/Ni(OH)2 with Dual Ion Implantation Modulability and Energy Level Matching

Efficient Electrochromic Electrode Materials Based on WO3/Ni(OH)2 with Dual Ion Implantation Modulability and Energy Level Matching

Exploring the fascinating interplay of epigenetically modified DNA bases with two dimensional bare and P-doped Si2BN and BN sheets for biosensing applications: A compelling DFT perspective

Metalation of porphyrin units in a porous organic polymer stabilizing its anodic cycling performance in lithium-ion battery

Contact Info

Product

Resources

About

Efficient Electrochromic Electrode Materials Based on WO₃/Ni(OH)₂ with Dual Ion Implantation Modulability and Energy Level Matching

Efficient Electrochromic Electrode Materials Based on WO₃/Ni(OH)₂ with Dual Ion Implantation Modulability and Energy Level Matching