Details
| Original language | English |
|---|---|
| Pages (from-to) | 20087-20093 |
| Number of pages | 7 |
| Journal | Journal of Physical Chemistry C |
| Volume | 125 |
| Issue number | 36 |
| Early online date | 3 Sept 2021 |
| Publication status | Published - 16 Sept 2021 |
Abstract
We study the interplay of chemisorbed hydrogen and physisorbed PbPc molecules on epitaxial graphene by means of surface transport and density functional theory. While the adsorption of atomic hydrogen induces strong localization by local sp3 rehybridization of the graphene lattice, PbPc is not affecting the transport properties of clean graphene. Moreover, on hydrogenated graphene, PbPc is selectively lifting the lattice distortion, while binding the atomic hydrogen and recovering the conductivity of the pristine graphene. Our results show that graphene is a multipurpose template for sensing both chemisorbed and physisorbed species and the implementation of a chemical selectivity.
ASJC Scopus subject areas
- Materials Science(all)
- Electronic, Optical and Magnetic Materials
- Energy(all)
- General Energy
- Chemistry(all)
- Physical and Theoretical Chemistry
- Materials Science(all)
- Surfaces, Coatings and Films
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In: Journal of Physical Chemistry C, Vol. 125, No. 36, 16.09.2021, p. 20087-20093.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene
AU - Slawig, Diana
AU - Gruschwitz, Markus
AU - Gerstmann, Uwe
AU - Rauls, Eva
AU - Tegenkamp, Christoph
N1 - Funding Information: We gratefully acknowledge the financial support from the VW Foundation (VWZN3161) and the Hannover School for Nanotechnology (hsn) and by DFG (through TRR 142, Project 231447078). The in parts demanding numerical calculations were possible thanks to CPU-time grants of the Paderborn Center for Parallel Computing, (PC). In particular, we thank also Dr. Davood Momeni Pakdehi and Dr. Klaus Pierz (PTB Braunschweig) to provide us high-quality graphene samples.
PY - 2021/9/16
Y1 - 2021/9/16
N2 - We study the interplay of chemisorbed hydrogen and physisorbed PbPc molecules on epitaxial graphene by means of surface transport and density functional theory. While the adsorption of atomic hydrogen induces strong localization by local sp3 rehybridization of the graphene lattice, PbPc is not affecting the transport properties of clean graphene. Moreover, on hydrogenated graphene, PbPc is selectively lifting the lattice distortion, while binding the atomic hydrogen and recovering the conductivity of the pristine graphene. Our results show that graphene is a multipurpose template for sensing both chemisorbed and physisorbed species and the implementation of a chemical selectivity.
AB - We study the interplay of chemisorbed hydrogen and physisorbed PbPc molecules on epitaxial graphene by means of surface transport and density functional theory. While the adsorption of atomic hydrogen induces strong localization by local sp3 rehybridization of the graphene lattice, PbPc is not affecting the transport properties of clean graphene. Moreover, on hydrogenated graphene, PbPc is selectively lifting the lattice distortion, while binding the atomic hydrogen and recovering the conductivity of the pristine graphene. Our results show that graphene is a multipurpose template for sensing both chemisorbed and physisorbed species and the implementation of a chemical selectivity.
UR - http://www.scopus.com/inward/record.url?scp=85115071486&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.1c06320
DO - 10.1021/acs.jpcc.1c06320
M3 - Article
AN - SCOPUS:85115071486
VL - 125
SP - 20087
EP - 20093
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 36
ER -