First‐Principles Exploration of 2D Benzenehexathiolate Coordination Nanosheets for Broadband Electrochromic Devices
Abstract: Electrochromic materials can tune the illumination and heat exchange of a building with the environment and thereby save energy in lighting, heating, and air conditioning in a cost‐effective way, which is vital in realizing carbon neutrality. 2D frameworks such as coordination nanosheets (CONASHs) that are widely explored for a wide range of applications in energy storage and conversion can be a cluster of novel electrochromic materials. In this work, a series of transition metal benzenehexathiol (TM‐BHT) CONASHs are theoretically investigated via first‐principles simulations. During ion intercalation and deintercalation in TM‐BHTs, changes in lattice structures, lithium diffusion barriers, atomic charges, bond strength, and electronic properties are explored in‐depth. The incurred changes are then correlated with critical electrochromic properties, including the transmittance adjustment ranges in the visible light, near‐infrared, solar spectrum, and mid‐infrared. Among the various TM‐BHT systems, Cu‐BHT and Ag‐BHT are the most promising broadband electrochromic materials for optical and thermal management in the wavelength range from visible to mid‐infrared. The theoretical guidance from this work paves a new path toward electrochromic applications of CONASHs that exploit the versatility of these 2D materials.
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
First‐Principles Exploration of 2D Benzenehexathiolate Coordination Nanosheets for Broadband Electrochromic Devices ; day:07 ; month:08 ; year:2022 ; extent:8
Advanced functional materials ; (07.08.2022) (gesamt 8)
- Creator
- DOI
-
10.1002/adfm.202202763
- URN
-
urn:nbn:de:101:1-2022080815200710234123
- Rights
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
15.08.2025, 7:34 AM CEST
Data provider
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Li, Meng
- Wu, Zhenzhen
- Zheng, Mengting
- Chen, Hao
- Gould, Tim
- Zhang, Shanqing
Other Objects (12)
Calculating the most likely intron splicing orders in S. pombe, fruit fly, Arabidopsis thaliana, and humans
Nanoarchitectonics of Two‐Dimensional Electrochromic Materials: Achievements and Future Challenges
Temperature sensitivity of carbon concentrating mechanisms in the diatom Phaeodactylum tricornutum
Trends in GeTe Thermoelectrics: From Fundamentals to Applications
Risk factors of deep vein thrombosis of lower extremity in patients undergone gynecological laparoscopic surgery: what should we care
A vertical track nonlinear energy sink
Incorporating Real Option Value in Valuing Innovation: A Way Forward
Impaired neurogenesis and neural progenitor fate choice in a human stem cell model of SETBP1 disorder
Advances in Ionic Thermoelectrics: From Materials to Devices
Fluorescence Sensing with Cellulose‐Based Materials
Deep learning models for predicting the survival of patients with medulloblastoma based on a surveillance, epidemiology, and end results analysis
Strontium and Zinc Co-Doped Mesoporous Bioactive Glass Nanoparticles for Potential Use in Bone Tissue Engineering Applications
Calculating the most likely intron splicing orders in S. pombe, fruit fly, Arabidopsis thaliana, and humans
Nanoarchitectonics of Two‐Dimensional Electrochromic Materials: Achievements and Future Challenges
Temperature sensitivity of carbon concentrating mechanisms in the diatom Phaeodactylum tricornutum
Trends in GeTe Thermoelectrics: From Fundamentals to Applications
Risk factors of deep vein thrombosis of lower extremity in patients undergone gynecological laparoscopic surgery: what should we care
A vertical track nonlinear energy sink
Incorporating Real Option Value in Valuing Innovation: A Way Forward
Impaired neurogenesis and neural progenitor fate choice in a human stem cell model of SETBP1 disorder
Advances in Ionic Thermoelectrics: From Materials to Devices
Fluorescence Sensing with Cellulose‐Based Materials
Deep learning models for predicting the survival of patients with medulloblastoma based on a surveillance, epidemiology, and end results analysis
Strontium and Zinc Co-Doped Mesoporous Bioactive Glass Nanoparticles for Potential Use in Bone Tissue Engineering Applications
Calculating the most likely intron splicing orders in S. pombe, fruit fly, Arabidopsis thaliana, and humans
Nanoarchitectonics of Two‐Dimensional Electrochromic Materials: Achievements and Future Challenges
Temperature sensitivity of carbon concentrating mechanisms in the diatom Phaeodactylum tricornutum
Trends in GeTe Thermoelectrics: From Fundamentals to Applications
Risk factors of deep vein thrombosis of lower extremity in patients undergone gynecological laparoscopic surgery: what should we care
A vertical track nonlinear energy sink
Incorporating Real Option Value in Valuing Innovation: A Way Forward
Impaired neurogenesis and neural progenitor fate choice in a human stem cell model of SETBP1 disorder
Advances in Ionic Thermoelectrics: From Materials to Devices
Fluorescence Sensing with Cellulose‐Based Materials
Deep learning models for predicting the survival of patients with medulloblastoma based on a surveillance, epidemiology, and end results analysis