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IPM
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“School of Nano-Sciences”

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Paper   IPM / Nano-Sciences / 15411
School of Nano Science
  Title:   Adsorption characteristics of epigenetically modified DNA nucleobases on single-layer MoS2: A first-principles study
  Author(s): 
1 . Seyed-Mohammad Tabatabaei
2 . Mahdi Pourfath
3 . Morteza Fathipour
  Status:   Published
  Journal: J. Appl. Phys.
  Vol.:  124
  Year:  2018
  Pages:   134501
  Publisher(s):   AIP Publishing
  Supported by:  IPM
  Abstract:
We report a comprehensive van der Waals density functional theory study on the adsorption characteristics of four canonical and six epigenetically modified DNA nucleobases on single-layer molybdenum disulfide (SL-MoS2) substrates. All the considered nucleobases are physisorbed on SL-MoS2 with a modest electron transfer, ranging from 0:007eV to 0:041eV, from the adsorbates to SL-MoS2. Upon the physisorption of adenine, cytosine, guanine, and thymine on the SL-MoS2 sheet, the work function is decreased by 0.29, 0.09, 0.54, and 0.01 eV, respectively. It is shown that the bandgap of SL-MoS2 can be significantly reduced, by as much as 30

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