Identification of hyperhalogens in Agn(BO2)m (n = 1–3, m = 1–2) clusters: anion photoelectron spectroscopy and density functional calculations

2014 ◽  
Vol 16 (47) ◽  
pp. 26067-26074 ◽  
Author(s):  
Xiang-Yu Kong ◽  
Hong-Guang Xu ◽  
Pratik Koirala ◽  
Wei-Jun Zheng ◽  
Anil K. Kandalam ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Anion Photoelectron Spectroscopy

We identified hyperhalogens in Agn(BO2)m (n = 1–3, m = 1–2) clusters by using anion photoelectron spectroscopy and density functional calculations.

Structural and bonding properties of Cu3O3− and Cu3O4− clusters: anion photoelectron spectroscopy and density functional calculations

2018 ◽  
Vol 20 (31) ◽  
pp. 20622-20628 ◽  
Author(s):  
Xi-Ling Xu ◽  
Bin Yang ◽  
Zhi-You Wei ◽  
Guo-Jin Cao ◽  
Hong-Guang Xu ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Bonding Properties ◽  
Anion Photoelectron Spectroscopy

The structures of Cu3O3− and Cu3O4− were determined by combination of anion photoelectron spectroscopy and density functional calculations. The Cu–Cu interactions in Cu3O3− and Cu3O4− are weak.

Structural and electronic properties of HCnS− (n = 4–11): anion photoelectron spectroscopy and density functional calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (81) ◽  
pp. 78064-78072
Author(s):  
Xi-Ling Xu ◽  
Bin Yang ◽  
Hong-Guang Xu ◽  
Xiao-Jiao Deng ◽  
Wei-Jun Zheng
Keyword(s):  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Carbon Chain ◽  
Structural And Electronic Properties ◽  
Anion Photoelectron Spectroscopy

The structures of HCnS− are all linear with the H and S atoms locating at two ends of the carbon chain. Their VDEs exhibit a strong odd–even alternation.

Photoelectron spectroscopy and density functional calculations of AgSin− (n = 3–12) clusters

2013 ◽  
Vol 138 (24) ◽  
pp. 244312 ◽  
Author(s):  
Xiang-Yu Kong ◽  
Xiao-Jiao Deng ◽  
Hong-Guang Xu ◽  
Zheng Yang ◽  
Xi-Ling Xu ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Density Functional Calculations ◽  
Density Functional
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