Ultrastable Crystalline Semiconducting Hydrogenated Borophene

Hou, Chuang; Tai, Guòan; Hao, Jinqian; Sheng, Lihang; Liu, Bo; Wu, Zitong

doi:10.1002/ange.202001045

Cited by 31 publications

(32 citation statements)

References 57 publications

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“…As can be seen, twelve atoms with a ratio of 2:1 (B:H) form the -4H borophene, with a vacancy concentration of 1/9. The relaxed lattice constant was calculated to be 5.05 Å, which is in good agreement with the previous study 36 . The -4H borophene has a buckled structure with a buckling height predicted to be 0.88 Å.…”

Section: Resultssupporting

confidence: 89%

“…We can see two peaks at 577 and 1369 cm , which are representatives of Eg and vibrational modes of B-B cluster. These results are very supportive to the experimental Raman peaks at 743 and 1035 cm 36 .…”

Section: Resultssupporting

confidence: 89%

“…The freestanding hydrogenated borophene was synthesized recently by Hou et al 36 . DFT simulations were also done by the authors for better understanding of the experiment.…”

Section: Resultsmentioning

confidence: 99%

“…Very recently, a new phase of hydrogenated borophene ( -4H) was synthesized by in-situ thermal decomposition of sodium borohydride (NaBH ) powders in a hydrogen-rich environment 36 . Unlike the other synthesized samples, this phase was grown without any metal substrate while showing ultrahigh stability under the air condition at temperatures up to 400 C. It was reported very stable in strong acid and base solvents.…”

Section: Introductionmentioning

confidence: 99%

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Mechanical strength and flexibility in $$\alpha '$$-4H borophene

Mozvashi

Mohebpour

Vishkayi

et al. 2021

Sci Rep

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Very recently, a novel phase of hydrogenated borophene, namely $$\alpha '$$ α ′ -4H, has been synthesized in a free-standing form. Unlike pure borophenes, this phase shows very good stability in the air environment and possesses semiconducting characteristics. Because of the interesting stiffness and flexibility of borophenes, herein, we systematically studied the mechanical properties of this novel hydrogenated phase. Our results show that the monolayer is stiffer (Y$$_\text {xy}$$ xy = $$\sim $$ ∼ 195 N/m) than group IV and V 2D materials and even than MoS$$_2$$ 2 , while it is softer than graphene. Moreover, similar to other phases of borophene, the inherent anisotropy of the pure monolayer increases with hydrogenation. The monolayer can bear biaxial, armchair, and zigzag strains up to 16, 10, and 14% with ideal strengths of approximately 14, 9, and 12 N/m, respectively. More interestingly, it can remain semiconductor under this range of tension. These outstanding results suggest that the $$\alpha '$$ α ′ -4H is a promising candidate for flexible nanoelectronics.

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Section: Resultssupporting

confidence: 89%

Section: Resultssupporting

confidence: 89%

“…The freestanding hydrogenated borophene was synthesized recently by Hou et al 36 . DFT simulations were also done by the authors for better understanding of the experiment.…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Mechanical strength and flexibility in $$\alpha '$$-4H borophene

Mozvashi

Mohebpour

Vishkayi

et al. 2021

Sci Rep

View full text Add to dashboard Cite

show abstract

“…In addition, several phases of borophene have been synthesized on Ag (111), Au (111), and Cu (111) substrates, which are metal and unstable in freestanding form. Eventually, a new phase of hydrogenated borophene was synthesized by thermal decomposition of sodium borohydride ( NaBH 4 ) powders, which shows an ultra-stability and semi-conducting characteristics in the air environment 39 . This achievement was also led by theoretical predictions 40 .…”

Section: Resultsmentioning

confidence: 99%

Prediction of hydrogenated group IV–V hexagonal binary monolayers

Mohebpour

Mozvashi

Vishkayi

et al. 2020

Sci Rep

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Group IV and V monolayers are very crucial 2D materials for their high carrier mobilities, tunable band gaps, and optical linear dichroism. Very recently, a novel group IV–V binary compound, $${\hbox {Sn}}_2{\hbox {Bi}}$$ Sn 2 Bi , has been synthesized on silicon substrate, and has shown very interesting electronic properties. Further investigations have revealed that the monolayer would be stable in freestanding form by hydrogenation. Inspired by this, by means of first-principles calculations, we systematically predict and investigate eight counterparts of $${\hbox {Sn}}_2{\hbox {Bi}}$$ Sn 2 Bi , namely $${\hbox {Si}}_2{\hbox {P}}$$ Si 2 P , $${\hbox {Si}}_2{\hbox {As}}$$ Si 2 As , $${\hbox {Si}}_2{\hbox {Sb}}$$ Si 2 Sb , $${\hbox {Si}}_2{\hbox {Bi}}$$ Si 2 Bi , $${\hbox {Ge}}_2{\hbox {P}}$$ Ge 2 P , $${\hbox {Ge}}_2{\hbox {As}}$$ Ge 2 As , $${\hbox {Ge}}_2{\hbox {Sb}}$$ Ge 2 Sb , and $${\hbox {Ge}}_2{\hbox {Bi}}$$ Ge 2 Bi . The cohesive energies, phonon dispersions, and AIMD calculations show that, similar to $${\hbox {Sn}}_2{\hbox {Bi}}$$ Sn 2 Bi , all of these freestanding monolayers are stable in hydrogenated form. These hydrogenated monolayers are semiconductors with wide band gaps, which are favorable for opto-electronic purposes. The $${\hbox {Si}}_2{\hbox {YH}}_2$$ Si 2 YH 2 and $${\hbox {Ge}}_2{\hbox {YH}}_2$$ Ge 2 YH 2 structures possess indirect and direct band gaps, respectively. They represent very interesting optical characteristics, such as good absorption in the visible region and linear dichroism, which are crucial for solar cell and beam-splitting devices, respectively. Finally, the $${\hbox {Si}}_2{\hbox {SbH}}_2$$ Si 2 SbH 2 and $${\hbox {Si}}_2{\hbox {BiH}}_2$$ Si 2 BiH 2 monolayers have suitable band gaps and band edge positions for photocatalytic water splitting. Summarily, our investigations offer very interesting and promising properties for this family of binary compounds. We hope that our predictions open ways to new experimental studies and fabrication of suitable 2D materials for next generation opto-electronic and photocatalytic devices.

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Borophene and Boron‐Based Nanosheets: Recent Advances in Synthesis Strategies and Applications in the Field of Environment and Energy

Chand

Kumar

Krishnan

2021

Adv Materials Inter

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Since the discovery of borophene in 2014, tremendous efforts have been invested in exploring its synthesis methods as well as in exploiting the potential applications. Borophene has been progressively used in the field of chemistry, material science, nanotechnology, and condensed matter physics. This review discusses the physical (thermal, electronic, superconductive, and mechanical) and chemical properties of borophene followed by the advances in the experimental synthesis strategies and finally its applications in the field of environment and energy. Initially, the potential of borophene as a heterogeneous catalyst is discussed in CO2 reduction, N2 fixation, hydrogen evolution and oxygen evolution reactions followed by its use as a potential material for hydrogen storage, supercapacitors as well as its use as an anode material in batteries. Finally, a detailed summary followed by an outlook on the future potential of borophene as a remarkable material for environment and energy applications is presented.

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Ultrastable Crystalline Semiconducting Hydrogenated Borophene

Cited by 31 publications

References 57 publications

Mechanical strength and flexibility in $$\alpha '$$-4H borophene

Mechanical strength and flexibility in $$\alpha '$$-4H borophene

Prediction of hydrogenated group IV–V hexagonal binary monolayers

Borophene and Boron‐Based Nanosheets: Recent Advances in Synthesis Strategies and Applications in the Field of Environment and Energy

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