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Humidity and CO2 gas sensing properties of double-layer graphene
KTH, School of Electrical Engineering (EES), Micro and Nanosystems. KTH Royal Institute of Technology. (MEMS 3D Integration)ORCID iD: 0000-0002-8811-1615
KTH, Centres, SeRC - Swedish e-Science Research Centre. KTH, School of Engineering Sciences (SCI), Applied Physics.ORCID iD: 0000-0002-8222-3157
KTH, School of Information and Communication Technology (ICT), Electronics, Integrated devices and circuits.
KTH, School of Information and Communication Technology (ICT), Electronics, Integrated devices and circuits.ORCID iD: 0000-0002-5845-3032
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2018 (English)In: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 127, p. 576-587Article in journal, Editorial material (Refereed) Published
Abstract [en]

Graphene has interesting gas sensing properties with strong responses of the graphene resistance when exposed to gases. However, the resistance response of double-layer graphene when exposed to humidity and gasses has not yet been characterized and understood. In this paper we study the resistance response of double-layer graphene when exposed to humidity and CO2, respectively. The measured response and recovery times of the graphene resistance to humidity are on the order of several hundred milliseconds. For relative humidity levels of less than ~ 3% RH, the resistance of double-layer graphene is not significantly influenced by the humidity variation. We use such a low humidity atmosphere to investigate the resistance response of double-layer graphene that is exposed to pure CO2 gas, showing a consistent response and recovery behaviour. The resistance of the double-layer graphene decreases linearly with increase of the concentration of pure CO2 gas. Density functional theory simulations indicate that double-layer graphene has a weaker gas response compared to single-layer graphene, which is in agreement with our experimental data. Our investigations contribute to improved understanding of the humidity and CO2 gas sensing properties of double-layer graphene which is important for realizing viable graphene-based gas sensors in the future.

Place, publisher, year, edition, pages
Netherlands: Elsevier, 2018. Vol. 127, p. 576-587
Keywords [en]
Graphene, humidity, gas sensing, CO2
National Category
Other Engineering and Technologies not elsewhere specified
Research subject
Electrical Engineering; Materials Science and Engineering
Identifiers
URN: urn:nbn:se:kth:diva-218275DOI: 10.1016/j.carbon.2017.11.038ISI: 000418095900026Scopus ID: 2-s2.0-85034837689OAI: oai:DiVA.org:kth-218275DiVA, id: diva2:1160241
Projects
M&MWaveGraphGEMS
Funder
EU, European Research Council, 277879VINNOVA, 2016-01655Swedish Research Council, 2015-05112
Note

QC 20171127

Available from: 2017-11-25 Created: 2017-11-25 Last updated: 2018-02-20Bibliographically approved
In thesis
1. Density Functional Theory Calculations for Graphene-based Gas Sensor Technology
Open this publication in new window or tab >>Density Functional Theory Calculations for Graphene-based Gas Sensor Technology
2018 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Nowadays, electronic devices span a diverse pool of applications, especially when getting smaller and smaller satisfying the more than Moore paradigm. To further develop this, studies focusing on material design toward electronic devices are crucial. Accordingly, we present a theoretical study investigating the possibility of graphene as a promising material for such electronic devices design. We focus on graphene and graphene-based sensors. Graphene is known to have outstanding electronic and mechanical properties making it a game changer in the electronic design in the so-called 'post-silicon' industry. It is stronger than steel yet the thinnest material ever known while overstepping copper regarding electronic conductivity.

In this thesis, we perform first-principle ab-initio density functional theory (DFT) calculations of graphene in different sensing ambient conditions, which allows fast, accurate and efficient investigations of the electronic structure properties. Principally, we centre our attention on the arising interactions between the adsorbates on top of the graphene sheet and the underlying substrates' surface defects. The combined effect of the impurity bands arising from these defects and the adsorbates reveals a doping influence within the graphene sheet. This doping behaviour is responsible for different equilibrium distances and binding energies for different adsorbate types as well as substrates. Moreover, we briefly investigate the same effect on double layered graphene under the same ambient conditions.

We extend the studies to involve various types of substrates with different surface conditions and different adhesion nature to graphene. We take into consideration the governing van der Waals interactions in describing the electronic structure properties taking place at the graphene sheet interfacing both with the substrates below and the adsorbates above. Furthermore, we investigate the possibility of passivating such action of graphene sensing towards adsorbates to inhibit the graphene's sensing action as devices passivation becomes a necessity for the ultimate purpose of achieving more than Moore applications. Which in turn result in the optimal integration of graphene-based devices with different other devices functionalities on the same resultant chip.

In summary, graphene, by means of first-principle calculations verification, shows a promising behaviour in the sensor functionality enabling more than Moore applications for further advances.

Abstract [sv]

Elektroniska komponenter används i allt vidare utsträckning, och deras användning ökar i takt med att de blir mindre och mindre samtidigt som deras prestanda ökar, enligt det paradigm som brukar kallas ''more than Moore''. För att att göra ytterligare framsteg i denna riktning är grundläggande studier som fokuserar på materialdesign och tillverkning av nya typer av elektroniska komponenter avgörande. I den här avhandlingen presenteras teoretiska studier av grafen-baserade komponenter. Grafen är ett mycket intressant material för framtidens elektroniska komponenter. Specifikt fokuserar vi på grafenbaserade gas-sensorer. Grafen är känt för att ha mycket ovanliga elektroniska och mekaniska egenskaper som gör det till ett unikt material för "post-silicon"-design av elektronik. Det är starkare än stål och är samtidigt världens tunnaste material. Samtidigt har det bättre elektrisk ledningsförmåga än koppar.

Täthetsfunktionalsteori (DFT) har använts för att beräkna hur den elektroniska strukturen hos grafen ändras som funktion av substratmaterial och typ av molekyler som adsorberats på grafenets yta. DFT är en beräkningsmetod som medger simuleringar med hög precision samtidigt som den är relativt snabb. I studierna har DFT kombinerats med olika modeller för van der Waals-interaktionen.En viktig aspekt i de studier vi presenterar här är interaktionen mellan adsorbat-molekylerna ovanpå grafenet och ytdefekterna hos det underliggande substratet. De orenhetsband som härrör från defekterna, i kombination med adsorbat-molekylerna, skapar en slags dopningseffekt som ändrar elektronstrukturen hos grafenet. Därmed kan även de elektriska transportegenskaperna ändras hos grafenet, vilket möjliggör elektrisk detektion av molekylerna.

Vi har även studerat sensorer byggda med dubbelskiktad grafen. Dessutom har vi gjort en systematisk studie av hur grafen binder till ett stort antal substrat samt även hur man kan passivisera grafen så att den elektriska ledningsförmågan inte ändras vid molekyladsorption. Detta sista är viktigt för "more than Moore"-tillmämpningar, där ett centralt designkriterium är att kunna integrera många funktioner på samma chip.

Place, publisher, year, edition, pages
Stockholm, Sweden, 2018: KTH Royal Institute of Technology, 2018. p. 75
Series
TRITA-SCI-FOU ; 2018:01
Keywords
graphene, ab-initio, humidity, carbon dioxide, substrate, DFT, vdW, first-principle, simulation, calculations
National Category
Condensed Matter Physics
Research subject
Physics
Identifiers
urn:nbn:se:kth:diva-221639 (URN)978-91-7729-660-7 (ISBN)
Public defence
2018-02-09, Ka-Sal C (Sal Sven-Olof Öhrvik), Electrum 229 16440 Kista, Stockholm, Stockholm, 09:00 (English)
Opponent
Supervisors
Note

QC 20180118

Available from: 2018-01-18 Created: 2018-01-18 Last updated: 2018-01-19Bibliographically approved

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Publisher's full textScopushttps://www.sciencedirect.com/science/article/pii/S0008622317311521

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Elgammal, KarimÖstling, MikaelDelin, AnnaLemme, Max C.

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