Unlocking the chemistry of graphene: the impact of charge carrier concentration on molecular adsorption on graphene

Published: June 6, 2024

Both intentional and unintentional doping of graphene is a common occurrence, as its carrier concentration can be modulated through various mechanisms. While extensively explored in electronics for achieving desirable conductivity, other aspects remain largely untapped, presenting opportunities further innovation. This study demonstrates that serves powerful selective tool modulating the interaction between molecular adsorbates graphene. The effects are tunable evident both n-type p-type doping, with low-to-medium modulation at levels ±1012 e/cm2 , substantial enhancements, strength increases exceeding 150% hundreds meV, ±1013 . These also molecule-specific, significant enhancements species such water (H2O), ammonia (NH3), aluminum chloride (AlCl3 ), while having minimal impact on like hydrogen (H2 ). finding not only elucidates fundamental chemical behavior but provides versatile method to tailor surface chemistry applications sensors, catalysis, electronic devices. insights from this research pave way advanced material design strategies, leveraging nature graphene’s properties optimize species.

Language: Английский

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Screening and comparison of 18 transition metal atoms doped to modulate the electrocatalytic synthesis of ammonia with multi-S vacancies MoS2: A study of density functional theory

Chemical Physics Letters, Journal Year: 2024, Volume and Issue: 850, P. 141461 - 141461

Published: Sept. 1, 2024

Language: Английский

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Mechanical properties of hexagonal and trigonal molybdenum ditelluride by molecular dynamics simulation

Applied Physics A, Journal Year: 2024, Volume and Issue: 130(8)

Published: July 22, 2024

Language: Английский

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Combined computational and experimental investigations on adsorption of mercury on transition metal dichalcogenides

Chemical Physics Letters, Journal Year: 2024, Volume and Issue: 860, P. 141817 - 141817

Published: Dec. 11, 2024

Language: Английский

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