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B-N@Graphene :
B-N@Graphene : Highly Sensitive and Selective Gas Sensor
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- Choudhuri, Indrani (författare)
- Indian Inst Technol, Sch Basic Sci, Discipline Chem, Indore 452020, Madhya Pradesh, India.
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- Patra, Nandini (författare)
- Uppsala universitet,Institutionen för fysik och astronomi,Indian Inst Technol, Ctr Mat Sci & Engn, Indore 452020, Madhya Pradesh, India.
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- Mahata, Arup (författare)
- Indian Inst Technol, Sch Basic Sci, Discipline Chem, Indore 452020, Madhya Pradesh, India.
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- Ahuja, Rajeev (författare)
- KTH,Uppsala universitet,Materialteori,Royal Inst Technol KTH, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.,Tillämpad materialfysik,Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden
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- Pathak, Biswarup (författare)
- Indian Inst Technol, Sch Basic Sci, Discipline Chem, Indore 452020, Madhya Pradesh, India.;Indian Inst Technol, Ctr Mat Sci & Engn, Indore 452020, Madhya Pradesh, India.
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Indian Inst Technol, Sch Basic Sci, Discipline Chem, Indore 452020, Madhya Pradesh, India Institutionen för fysik och astronomi (creator_code:org_t)
- 2015-10-26
- 2015
- Engelska.
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 119:44, s. 24827-24836
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- We have performed density functional theory (DFT) calculations to study the gas (CO, CO2, NO, and NO2) sensing mechanism of pure and doped (B@, N@, and B-N@) graphene surfaces. The calculated adsorption energies of the various toxic gases (CO, CO2, NO, and NO2) on the pure and doped graphene surfaces show, doping improves adsorption energy and selectivity. The electronic properties of the B-N@graphene surfaces change significantly compared to pure and B@ and N@graphene surfaces, while selective gas molecules are adsorbed. So, we report B-N codoping on graphene can be highly sensitive and selective for semiconductor-based gas sensor.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
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