Global Minima Search for Sodium- and Magnesium-Adsorbed Polymorphic Borophene

Vishnubhotla, Vaishnavi; Kabiraj, Arnab; Bhattacharyya, Aninda J.; Mahapatra, Santanu

doi:10.1021/acs.jpcc.2c02727

Cited by 7 publications

(3 citation statements)

References 45 publications

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“…Meanwhile, a large variety of borophenes have been predicted computationally, some of which can even host tilted-Dirac Fermion , and magnetic order . The ultralow molar mass and metallic nature of borophene have prompted a wide range of electrochemical applications, e.g., alkali-metal-ion batteries, hydrogen storage, supercapacitor, and catalytic reaction. , …”

Section: Introductionmentioning

confidence: 99%

“…8 The ultralow molar mass and metallic nature of borophene have prompted a wide range of electrochemical applications, e.g., alkali-metal-ion batteries, hydrogen storage, supercapacitor, and catalytic reaction. 9,10 Since the performance of ultrascaled silicon-based transistors has reached its bottleneck, 11 the exploration of two-dimen-sional (2D) materials, which promise to deliver ultimate electrostatic integrity, has become necessary in the semiconductor industry as a replacement for silicon. 12 To date, more than a dozen 2D semiconductors (e.g., germanane, 13 phosphorene, 14 tellurene, 15 etc.)…”

Section: ■ Introductionmentioning

confidence: 99%

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Discovery of Clustered-P1 Borophene and Its Application as the Lightest High-Performance Transistor

Guha

Kabiraj

Mahapatra

2023

ACS Appl. Mater. Interfaces

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The two-dimensional network of boron atoms (borophene) has attracted attention for its ultralow molar mass and remarkable polymorphism. Synthesized polymorphs of borophene (striped, β 12 , χ 3 , and honeycomb), so far, are all found to be metallic. Employing a genetic algorithm-based structure searching technique, here we discover an allotrope, clustered-P1, which is located very close to the global energy minimum. Clustered-P1 exhibits a bulk silicon-like band gap (1.08 eV) with symmetric effective masses (∼0.2 m 0 ) for electrons and holes along the transport direction. Phonon dispersion and beyond room-temperature ab initio molecular dynamics studies further confirm its excellent dynamic and structural stability. Since two-dimensional semiconductors are promising silicon alternatives for complementary metal-oxide semiconductor (CMOS) technology extension, we further investigate the characteristics of clustered-P1-based transistors using self-consistent quantum transport models for channel lengths of 10−3 nm. The performance of these devices has been found to be balanced for p-and n-type transistors and meets the requirements of the International Roadmap for Devices and Systems (IRDS). Our study may aid in the experimental realization of the lightest highperformance transistor.

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Section: Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Discovery of Clustered-P1 Borophene and Its Application as the Lightest High-Performance Transistor

Guha

Kabiraj

Mahapatra

2023

ACS Appl. Mater. Interfaces

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“…Borophene has attracted widespread attention in the field of two-dimensional (2D) materials since it was first synthesized in 2015. 1 It is a 2D material made entirely of boron atoms, which have important potential applications in electronics, [2][3][4] energy storage, [5][6][7][8] transport, 9 catalysis, [10][11][12] plasmonics, 13,14 superconductivity, [15][16][17][18] sensors, [19][20][21] etc. In addition, the 2D metallic properties, 1,22 such as Dirac Fermions, 23 ideal flexibility and strength, 24 antiferromagnetism 25 and excellent electronic, 26,27 gas-sensing 28 and transport 9 properties of borophene, have also attracted widespread attention from researchers.…”

Section: Introductionmentioning

confidence: 99%