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 Complex magnetism of the two-dimensional antiferromagnetic Ge2F: from a Néel spin-texture to a potential antiferromagnetic skyrmion

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8654-8663
Author(s):  
Fatima Zahra Ramadan ◽  
Flaviano José dos Santos ◽  
Lalla Btissam Drissi ◽  
Samir Lounis
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Low Energy ◽  
Two Dimensional ◽  
Functional Theory ◽  
2D Material ◽  
Energy Models ◽  
Spin Texture

Based on density functional theory combined with low-energy models, we explore the magnetic properties of a hybrid atomic-thick two-dimensional (2D) material made of germanene doped with fluorine atoms in a half-fluorinated configuration (Ge2F).

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...

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