Interface Effects on Epilayer Surface Density of States by Scanning Tunneling Spectroscopy and Density Functional Theory

2019 ◽  
Vol 2 (12) ◽  
pp. 1900140
Author(s):  
Matan Dascalu ◽  
Rachel Levi ◽  
Federico Cesura ◽  
Oswaldo Diéguez ◽  
Ilan Goldfarb
Keyword(s):  
Density Functional Theory ◽  
Density Of States ◽  
Surface Density ◽  
Density Functional ◽  
Scanning Tunneling Spectroscopy ◽  
Tunneling Spectroscopy ◽  
Scanning Tunneling ◽  
Functional Theory ◽  
Interface Effects ◽  
Epilayer Surface

scholarly journals Two-dimensional delocalized states in organometallic bis-acetylide networks on Ag(111)

Nanoscale ◽  
2018 ◽  
Vol 10 (8) ◽  
pp. 3769-3776 ◽  
Author(s):  
Zechao Yang ◽  
Julian Gebhardt ◽  
Tobias A. Schaub ◽  
Tim Sander ◽  
Jörg Schönamsgruber ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic State ◽  
Density Functional ◽  
Scanning Tunneling Spectroscopy ◽  
Tunneling Spectroscopy ◽  
Scanning Tunneling ◽  
Two Dimensional ◽  
Functional Theory

Scanning tunneling spectroscopy and density-functional theory reveal an unoccupied electronic state that is delocalized along the entire organometallic Ag-bis-acetylide network.

scholarly journals Adsorption behavior of tin phthalocyanine onto the (110) face of rutile TiO2

2020 ◽  
Vol 11 ◽  
pp. 821-828 ◽  
Author(s):  
Lukasz Bodek ◽  
Mads Engelund ◽  
Aleksandra Cebrat ◽  
Bartosz Such
Keyword(s):  
Density Functional Theory ◽  
Surface Density ◽  
Density Functional ◽  
Room Temperature ◽  
Adsorption Behavior ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Molecular Arrangement ◽  
The Difference

The adsorption behavior of tin phthalocyanine (SnPc) molecules on rutile TiO2(110) was studied by scanning tunneling microscopy (STM). Low-temperature STM measurements of single molecules reveal the coexistence of two conformations of molecules on the TiO2 surface. Density functional theory-based simulations (DFT) indicate that the difference originates from the position of the tin atom protruding from the molecule plane. The irreversible switching of Sn-up molecules into the Sn-down conformation was observed either after sample annealing at 200 °C or as a result of tip-induced manipulation. Room-temperature measurements conducted for a coverage of close to a monolayer showed no tendency for molecular arrangement.

A flat-lying dimer as a key intermediate in NO reduction on Cu(100)

2021 ◽  
Author(s):  
Kenta Kuroishi ◽  
Muhammad Rifqi Al Fauzan ◽  
Ngoc Thanh Pham ◽  
Yuelin Wang ◽  
Yuji Hamamoto ◽  
...  
Keyword(s):  
Nitric Oxide ◽  
Density Functional Theory ◽  
Scanning Tunneling Microscope ◽  
Density Functional ◽  
No Reduction ◽  
Density Functional Theory Calculations ◽  
Scanning Tunneling ◽  
Functional Theory ◽  
Tunneling Microscope ◽  
Electron Energy Loss

The reaction of nitric oxide (NO) on Cu(100) is studied by scanning tunneling microscope, electron energy loss spectroscopy and density functional theory calculations. The NO molecules adsorb mainly as monomers...

Na2M2(SO4)3 (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications

2016 ◽  
Vol 18 (14) ◽  
pp. 9658-9665 ◽  
Author(s):  
Rafael B. Araujo ◽  
Sudip Chakraborty ◽  
Prabeer Barpanda ◽  
Rajeev Ahuja
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Charge Transfer ◽  
Redox Potential ◽  
Density Of States ◽  
High Voltage ◽  
Density Functional ◽  
Structure Evolution ◽  
Sodium Ions ◽  
Functional Theory

We have employed density functional theory to systematically investigate the crystal structure evolution, density of states and charge transfer with sodium ions insertion, and the corresponding average redox potential, for Na2M2(SO4)3 (M = Fe, Mn, Co and Ni).

scholarly journals Lithium incorporation into a silica thin film: Scanning tunneling microscopy and density functional theory

2009 ◽  
Vol 80 (24) ◽  
Author(s):  
Jan Frederik Jerratsch ◽  
Niklas Nilius ◽  
Hans-Joachim Freund ◽  
Umberto Martinez ◽  
Livia Giordano ◽  
...  
Keyword(s):  
Thin Film ◽  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Silica Thin Film ◽  
Lithium Incorporation
Sign in / Sign up

Export Citation Format

Share Document