Changes in work function due to 
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 adsorption on monolayer and bilayer epitaxial graphene on SiC(0001)

Caffrey, Nuala M.; Armiento, Rickard; Yakimova, Rositsa; Abrikosov, Igor A.

doi:10.1103/physrevb.94.205411

Cited by 18 publications

(13 citation statements)

References 50 publications

(75 reference statements)

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“…measured by KPFM was 135.9 meV lower than the WF of a BLG [51]. Later studies reported the same results [10,37,38,43,44,52] and indicated that the SLG could be chemically less stable than the BLG and FLG [53]. Panchal et al studied the surface potential and the WF of the SLG and BLG domains via a combination of electrical functional microscopy and spectroscopy techniques [54].…”

Section: Thickness Dependence Of the Graphene Work Functionmentioning

confidence: 91%

“…Upon contact of graphene with a metal (insulator), the WF difference results in transfer of the charge to create an interface dipole moment, which controls the WF of a graphene layer [9,50,52]. The dipole size and the sign and magnitude of doping in a graphene layer depend on the type, thickness, and WF of the contact.…”

Section: Effect Of the Type Of Graphene Contact On Its Work Function ...mentioning

confidence: 99%

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Tuning the work function of graphene toward application as anode and cathode

Naghdi

Sánchez‐Arriaga

Rhee

2019

Journal of Alloys and Compounds

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The rapid technological progress in the 21 st century demands new multi-functional materials applicable to a wide variety of industries. Two-dimensional (2D) materials are predicted to have a revolutionary impact on the cost, size, weight, and functions of future electronic and optoelectronic devices. Graphene, which shows potential as an alternative to conventional conductive transparent metal oxides, may play a central role. Since its work function (WF) is tunable, graphene exhibits the interesting ability to serve two different roles in electronic and optoelectronic devices, both as an anode and a cathode.After introducing some basic concepts, this work reviews the most important advances in controlling the tuned WF of graphene, highlighting special features of graphene electronic band structure and recognizing different methods for measuring WF. The impact of thickness, type of contact, chemical doping, UV and plasma treatments, defects, and functional groups of graphene oxide are considered and related with the applications of the modulated material. The results of the review, organized in lookup tables, have been used to identify the advantages and main challenges of the tuning methods.

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Section: Thickness Dependence Of the Graphene Work Functionmentioning

confidence: 91%

Section: Effect Of the Type Of Graphene Contact On Its Work Function ...mentioning

confidence: 99%

Tuning the work function of graphene toward application as anode and cathode

Naghdi

Sánchez‐Arriaga

Rhee

2019

Journal of Alloys and Compounds

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“…It is worth noting that the work function after NO 2 adsorption increases by 0.46 eV, which is even larger than what has been reported for graphene. 58 …”

Section: Resultsmentioning

confidence: 99%

Monolayer Sc₂CF₂ as a Potential Selective and Sensitive NO₂ Sensor: Insight from First-Principles Calculations

Cheng

Wang

et al. 2022

ACS Omega

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Two-dimensional materials with excellent surface–volume ratios and massive reaction sites recently have been receiving attention for gas sensing. With first-principles calculations, we explored the performance of monolayer Sc 2 CF 2 as a gas sensor. We investigated how molecule adsorption affects its electronic structure and optical properties. It is found that a large charge transfer quantity happens between Sc 2 CF 2 and NO 2 , which results from the fact that the lowest unoccupied molecular orbital (LUMO) of NO 2 is below the valence band maximum (VBM) of Sc 2 CF 2 . Moreover, the MD simulation shows that NO 2 can adsorb on the Sc 2 CF 2 surface stably at room temperature. We explored the effect of biaxial strain on the adsorption energy and charge transfer quantity of each system, and the results show that the biaxial strain can enhance both the adsorption energy and charge transfer quantity of the NO 2 system and thus can improve the sensitivity of Sc 2 CF 2 in detecting the NO 2 molecule. Furthermore, we investigated the adsorption behavior and charge transfer of polar polyatomic molecules at the Sc 2 CF 2 surface with h -BN as a substrate, and the results demonstrate that the h -BN substrate can hardly modify the main results. Our result predicts that Sc 2 CF 2 can be a promising selective and sensitive sensor to detect the NO 2 molecule, and could also give a theoretical guide for other terminated MXenes used for gas sensors or detectors.

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“…The Fe3O4 NP DEG sensor was not tested with CO. To NO2, the Fe3O4 NL DEG sensor exhibited the highest and the untreated PEG sensor the second highest response. The strong gas response towards NO2 with PEG could be due to the fact that NO2 sensing is highly dependent on the substrate and has a known high binding energy with EG [136]. The Fe3O4 NP DEG sensor (not shown in Table 6) exhibited one of the lowest responses of all sensors, which can partly be explained with the lower exposure time (see section 4.3.1 for influence of exposure time on response magnitude).…”

Section: Gas Measurementsmentioning

confidence: 98%

Functionalized epitaxial graphene as versatile platform for air quality sensors

Rodner

2021

Linköping Studies in Science and Technology. Dissertations

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The work presented in this thesis focuses on epitaxial graphene on SiC as a platform for air quality sensors. Several approaches have been tested and evaluated to increase the sensitivity, selectivity, speed of response and stability of the sensors. The graphene surfaces have been functionalized, for example, with different metal oxide nanoparticles and nanolayers using hollow-cathode sputtering and pulsed laser deposition. The modified surfaces were investigated towards topography, integrity and chemical composition with characterization methods such as atomic force microscopy and Raman spectroscopy. Interaction energies between several analytes and nanoparticle-graphene-combinations were calculated by density functional theory to find the optimal material for specific target gases, and to verify the usefulness of this approach. The impact of environmental influences such as operating temperature, relative humidity and UV irradiation on sensing properties was investigated as well. To further enhance sensor performances, the first-order time-derivative of the sensor's resistance was introduced to speed up sensor response and a temperature cycled operation mode was investigated towards selectivity.Applying these methods in laboratory conditions, sensors with a quantitative readout of single ppb benzene and formaldehyde were developed. These results show promise to fill the existing gap of low-cost but highly sensitive and fast gas sensors for air quality monitoring.The present dissertation thesis is the result of my binational doctoral studies carried out between November 2016 and May 2021.

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Changes in work function due to NO2 adsorption on monolayer and bilayer epitaxial graphene on SiC(0001)

Cited by 18 publications

References 50 publications

Tuning the work function of graphene toward application as anode and cathode

Tuning the work function of graphene toward application as anode and cathode

Monolayer Sc₂CF₂ as a Potential Selective and Sensitive NO₂ Sensor: Insight from First-Principles Calculations

Functionalized epitaxial graphene as versatile platform for air quality sensors

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Changes in work function due to NO2 adsorption on monolayer and bilayer epitaxial graphene on SiC(0001)

Cited by 18 publications

References 50 publications

Tuning the work function of graphene toward application as anode and cathode

Tuning the work function of graphene toward application as anode and cathode

Monolayer Sc2CF2 as a Potential Selective and Sensitive NO2 Sensor: Insight from First-Principles Calculations

Functionalized epitaxial graphene as versatile platform for air quality sensors

Contact Info

Product

Resources

About

Monolayer Sc₂CF₂ as a Potential Selective and Sensitive NO₂ Sensor: Insight from First-Principles Calculations