Adsorption of small molecules on graphene

Leenaerts, Ortwin; Partoens, B.; Peeters, F. M.

doi:10.1016/j.mejo.2008.11.022

Cited by 127 publications

(75 citation statements)

References 13 publications

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“…All theoretical works on pristine graphene using ab initio simulations based on quantum mechanics showed weak adsorption of gas molecules on its surface due to the highly stable and strongly bonded carbon atoms in graphene. The capability of graphene to sense gas molecules is usually investigated by inferring the results from the calculations of adsorption energies, charge transfers and the density of states of graphene-gas molecule adsorption systems [43,[45][46][47][48][49][50][51][52][53][54][55][56][57].…”

Section: Graphenementioning

confidence: 99%

Two-Dimensional Materials for Sensing: Graphene and Beyond

Varghese²,

et al. 2015

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Two-dimensional materials have attracted great scientific attention due to their unusual and fascinating properties for use in electronics, spintronics, photovoltaics, medicine, composites, etc. Graphene, transition metal dichalcogenides such as MoS2, phosphorene, etc., which belong to the family of two-dimensional materials, have shown great promise for gas sensing applications due to their high surface-to-volume ratio, low noise and sensitivity of electronic properties to the changes in the surroundings. Two-dimensional nanostructured semiconducting metal oxide based gas sensors have also been recognized as successful gas detection devices. This review aims to provide the latest advancements in the field of gas sensors based on various two-dimensional materials with the main focus on sensor performance metrics such as sensitivity, specificity, detection limit, response time, and reversibility. Both experimental and theoretical studies on the gas sensing properties of graphene and other two-dimensional materials beyond graphene are also discussed. The article concludes with the current challenges and future prospects for two-dimensional materials in gas sensor applications. OPEN ACCESSElectronics 2015, 4 652

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Section: Graphenementioning

confidence: 99%

Two-Dimensional Materials for Sensing: Graphene and Beyond

Varghese²,

et al. 2015

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“…Here, SiO 2 is used as a gate dielectric, and the heavily doped Si substrate is used as the bottom gate electrode. From the study, they elucidated that graphene FETs initially behave as a p-type system due to exposure to air, while these FETs can be rendered n-type by longterm vacuum-degassing at 200 o C. Leenaerts et al [116] investigated the adsorption process of NH 3 molecules on graphene through first-principle calculations and showed the presence of two main charge transfer mechanisms. They considered two different orientations of NH 3 molecules with respect to the graphene surface: (i) the H atoms pointing away from the surface (u) and (ii) the H atoms pointing toward the surface (d).…”

Section: Ammonia Adsorptionmentioning

confidence: 99%

Comprehensive review on synthesis and adsorption behaviors of graphene-based materials

Lee¹,

Park²

2012

Carbon letters

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Graphene is the thinnest known materials in the universe and the strongest ever measured. Graphene has emerged as an exotic material of the 21st century and received world-wide attention due to its exceptional charge transport, thermal, optical, mechanical, and adsorptive properties. Recently, graphene and its derivatives are considered promising candidates as adsorbent for H 2 storage, CO 2 capture, etc. and as the sensors for detecting individual gas molecule. The main purpose of this review is to comprehensive the synthesis method of graphene and to brief the adsorption behaviors of graphene and its derivatives.

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“…5,6 Similar to the good sensor properties of CNTs, graphene, a single atomic layer of graphite, is considered to be an excellent sensor material due to its special properties such as the two dimensional structure maximizing the interaction of absorbates on the layer, low Johnson noise, and few crystal defects. 7 A graphene sample has been reported to be used as a very sensitive gas sensor with the possibility of detecting NO 2 molecules, 8 which has encouraged the theoretical examination of the sensing properties of graphene.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of CO molecules on doped graphene: A first-principles study

et al. 2016

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As a typical kinds of toxic gases, CO plays an important role in environmental monitoring, control of chemical processes, space missions, agricultural and medical applications. Graphene is considered a potential candidate of gases sensor, so the adsorption of CO molecules on various graphene, including pristine graphene, Nitrogen-doped graphene (N-doped graphene) and Aluminum-doped graphene (Al-doped graphene), are studied by using first-principles calculations. The optimal configurations, adsorption energies, charge transfer, and electronic properties including band structures, density of states and differential charge density are obtained. The adsorption energies of CO molecules on pristine graphene and N-doped graphene are −0.01 eV, and −0.03 eV, respectively. In comparison, the adsorption energy of CO on Al-doped graphene is much larger, −2.69 eV. Our results also show that there occurs a large amount of charge transfer between CO molecules and graphene sheet after the adsorption, which suggests Al-doped graphene is more sensitive to the adsorption of CO than pristine graphene and N-doped graphene. Therefore, the sensitivity of gases on graphene can be drastically improved by introducing the suitable dopants.

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Adsorption of small molecules on graphene

Cited by 127 publications

References 13 publications

Two-Dimensional Materials for Sensing: Graphene and Beyond

Two-Dimensional Materials for Sensing: Graphene and Beyond

Comprehensive review on synthesis and adsorption behaviors of graphene-based materials

Adsorption of CO molecules on doped graphene: A first-principles study

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