Phosphorene: A promising candidate for H2 storage at room temperature

Garara, M.; Benzidi, H.; Lakhal, M.; Louilidi, M.; Ez‐Zahraouy, H.; Kenz, A. El; Hamedoun, M.; Benyoussef, A.; Kara, Abdelkader; Mounkachi, O.

doi:10.1016/j.ijhydene.2019.07.194

Cited by 33 publications

(13 citation statements)

References 71 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…36 For the H 2 case, the calculated E b is 1.01 eV, which is several times lower than that on pure and modified graphene 37 and comparable to that on phosphorene. 38,39 The recovery time is a critical characteristic for the application of the material in hydrogen storage devices. 40,41 According to the conventional transition state theory, 2D B 3 C 2 P 3 possesses fast recovery time of ~7 fs at the room temperature of 300 K. Previous studies showed that O 2 may oxidize chemically active 2D materials such as phosphorene.…”

Section: Resultsmentioning

confidence: 99%

“…For the H 2 O case, the calculated E b is 0.98 eV, which is lower than that on phosphorene , and comparable with that on graphene and modified MoS 2 . For the H 2 case, the calculated E b is 1.01 eV, which is several times lower than that on pure and modified graphene and comparable to that of phosphorene. , The recovery time is a critical characteristic for the application of the material in hydrogen storage devices. , According to the conventional transition state theory, 2D B 3 C 2 P 3 possesses fast recovery time of ∼7 fs at the room temperature of 300 K.…”

mentioning

confidence: 85%

See 1 more Smart Citation

First-Principles Prediction of Two-Dimensional B₃C₂P₃and B₂C₄P₂: Structural Stability, Fundamental Properties, and Renewable Energy Applications

Kistanov

Shcherbinin

Ustiuzhanina

et al. 2021

J. Phys. Chem. Lett.

View full text Add to dashboard Cite

The existence of two novel hybrid two-dimensional (2D) monolayers, 2D B3C2P3 and 2D B2C4P2, has been predicted based on the density functional theory calculations. It has been shown that these materials possess structural and thermodynamic stability. 2D B3C2P3 is a moderate band gap semiconductor, while 2D B2C4P2 is a zero band gap semiconductor. It has also been shown that 2D B3C2P3 has a highly tunable band gap under the effect of strain and substrate engineering. Moreover, 2D B3C2P3 produces low barriers for dissociation of water and hydrogen molecules on its surface, and shows fast recovery after desorption of the molecules. The novel materials can be fabricated by carbon doping of boron phosphide, and directly by arc discharge and laser ablation and vaporization. Applications of 2D B3C2P3 in renewable energy and straintronic nanodevices have been proposed. TOC: Novel 2D B3C2P3 is predicted and proposed for application in renewable energy devices.

show abstract

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 85%

First-Principles Prediction of Two-Dimensional B₃C₂P₃and B₂C₄P₂: Structural Stability, Fundamental Properties, and Renewable Energy Applications

Kistanov

Shcherbinin

Ustiuzhanina

et al. 2021

J. Phys. Chem. Lett.

View full text Add to dashboard Cite

show abstract

“…[ 211 ] Other similar studies based on DFT calculations have been also carried out to check the H 2 capture ability of phosphorene. [ 212–216 ]…”

Section: Applications Of Bp‐based Materials In Energy and Catalysismentioning

confidence: 99%

Chemical Functionalization of 2D Black Phosphorus toward Its Applications in Energy Devices and Catalysis: A Review

et al. 2021

View full text Add to dashboard Cite

Due to its unique in‐plane anisotropic structure, high carrier mobility, and adjustable direct bandgap, 2D black phosphorus (BP) has emerged as an important graphene‐like material for various micro‐ and optoelectronic, energy, catalytic, and biomedical applications. However, its lack of environmental stability severely limits its processing in ambient conditions. Chemical functionalization is an effective method for increasing the ambient stability of the material. Herein, the main approaches for chemical functionalization of 2D BP with various organic and inorganic substrates, as well as the routes for the preparation of 0D/2D and 2D/2D heterostructures, are discussed. Furthermore, the recent advances of 2D BP‐based materials in energy and catalysis fields are summarized. Finally, the challenges and future prospects for the preparation and functionalization of 2D BP are also highlighted.

show abstract

“…Analogous to graphene, 20 2-D Black-P, named black phosphorene (Black-Pn), 15,[21][22][23][24] has been identified as a stable form of phosphorus and has been the subject of intense studies in many applications, such as photocatalysis, gas sensing, hydrogen storage, and spintronics. [25][26][27][28] First-principles computations revealed that Black-Pn displays high theoretical capacities and rapid ion mobilities when used as an NEM in metal-ion batteries. [29][30][31] It has also been demonstrated that the Black-P/ graphene heterostructure possesses advantageous parameters for NIBs.…”

Section: Introductionmentioning

confidence: 99%

A BC₂N/blue phosphorene heterostructure as an anode material for high-performance sodium-ion batteries: first principles insights

Mansouri

Al-Shami

Sibari

et al. 2023

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

Phosphorene: A promising candidate for H2 storage at room temperature

Cited by 33 publications

References 71 publications

First-Principles Prediction of Two-Dimensional B₃C₂P₃and B₂C₄P₂: Structural Stability, Fundamental Properties, and Renewable Energy Applications

First-Principles Prediction of Two-Dimensional B₃C₂P₃and B₂C₄P₂: Structural Stability, Fundamental Properties, and Renewable Energy Applications

Chemical Functionalization of 2D Black Phosphorus toward Its Applications in Energy Devices and Catalysis: A Review

A BC₂N/blue phosphorene heterostructure as an anode material for high-performance sodium-ion batteries: first principles insights

Contact Info

Product

Resources

About

Phosphorene: A promising candidate for H2 storage at room temperature

Cited by 33 publications

References 71 publications

First-Principles Prediction of Two-Dimensional B3C2P3and B2C4P2: Structural Stability, Fundamental Properties, and Renewable Energy Applications

First-Principles Prediction of Two-Dimensional B3C2P3and B2C4P2: Structural Stability, Fundamental Properties, and Renewable Energy Applications

Chemical Functionalization of 2D Black Phosphorus toward Its Applications in Energy Devices and Catalysis: A Review

A BC2N/blue phosphorene heterostructure as an anode material for high-performance sodium-ion batteries: first principles insights

Contact Info

Product

Resources

About

First-Principles Prediction of Two-Dimensional B₃C₂P₃and B₂C₄P₂: Structural Stability, Fundamental Properties, and Renewable Energy Applications

First-Principles Prediction of Two-Dimensional B₃C₂P₃and B₂C₄P₂: Structural Stability, Fundamental Properties, and Renewable Energy Applications

A BC₂N/blue phosphorene heterostructure as an anode material for high-performance sodium-ion batteries: first principles insights