X-ray photoelectron spectroscopy of metal free porphyrazine, phthalocyanine and naphthalocyanine: density functional calculations

Xianxi Zhang; Jianzhuang Jiang

doi:10.1016/j.elspec.2004.10.006

X-ray photoelectron spectroscopy of metal free porphyrazine, phthalocyanine and naphthalocyanine: density functional calculations

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/j.elspec.2004.10.006 ◽

2005 ◽

Vol 142 (2) ◽

pp. 145-149 ◽

Cited By ~ 3

Author(s):

Xianxi Zhang ◽

Jianzhuang Jiang

Keyword(s):

Photoelectron Spectroscopy ◽

Density Functional Calculations ◽

Density Functional ◽

X Ray ◽

Metal Free

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Atomic and electronic structure of amorphous and crystalline hafnium oxide: X-ray photoelectron spectroscopy and density functional calculations

Journal of Applied Physics ◽

10.1063/1.2464184 ◽

2007 ◽

Vol 101 (5) ◽

pp. 053704 ◽

Cited By ~ 59

Author(s):

T. V. Perevalov ◽

V. A. Gritsenko ◽

S. B. Erenburg ◽

A. M. Badalyan ◽

Hei Wong ◽

...

Keyword(s):

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional Calculations ◽

Hafnium Oxide ◽

Density Functional ◽

X Ray ◽

Atomic And Electronic Structure

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Physical genetics: Cross-breeding density functional theory and X-ray photoelectron spectroscopy to rationalize chemical shifts of binding energies in solid compounds

Solid State Sciences ◽

10.1016/j.solidstatesciences.2020.106359 ◽

2020 ◽

Vol 110 ◽

pp. 106359

Author(s):

Horst P. Beck ◽

Giuliano Moretti

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Chemical Shifts ◽

Binding Energies ◽

Breeding Density ◽

Functional Theory ◽

X Ray ◽

Cross Breeding ◽

Solid Compounds

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

The Journal of Chemical Physics ◽

10.1063/1.4811659 ◽

2013 ◽

Vol 138 (24) ◽

pp. 244312 ◽

Cited By ~ 16

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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The synthesis, characterization and properties of alkyl complexes of the type [CpFe(CO)2R] (Cp=η5-C5(CH3)5; R=n-C3H7 to n-C12H25); the X-ray crystal and molecular structure of [Cp*Fe(CO)2(n-C5H11)] and molecular orbital and density functional calculations on the β-hydride elimination of [CpFe(CO)2(CH2CH3)]

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(99)00260-0 ◽

1999 ◽

Vol 587 (1) ◽

pp. 28-37 ◽

Cited By ~ 16

Author(s):

R.Oliver Hill ◽

Charles F. Marais ◽

John R. Moss ◽

Kevin J. Naidoo

Keyword(s):

Molecular Structure ◽

Molecular Orbital ◽

Density Functional Calculations ◽

Density Functional ◽

Crystal And Molecular Structure ◽

X Ray ◽

Alkyl Complexes ◽

Hydride Elimination

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Effect of Surface Chemistry on Ruthenium Wet Etching

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.314.302 ◽

2021 ◽

Vol 314 ◽

pp. 302-306

Author(s):

Quoc Toan Le ◽

E. Kesters ◽

M. Doms ◽

Efrain Altamirano Sánchez

Keyword(s):

Surface Roughness ◽

Photoelectron Spectroscopy ◽

Etching Rate ◽

Wet Etching ◽

X Ray ◽

Force Microscopy ◽

Metal Free ◽

Atomic Force ◽

Different Types ◽

Effect Of Surface

Different types of ALD Ru films, including as-deposited, annealed Ru, without and with a subsequent CMP step, were used for wet etching study. With respect to the as-deposited Ru, the etching rate of the annealed Ru film in metal-free chemical mixtures (pH = 7-9) was found to decrease substantially. X-ray photoelectron spectroscopy characterization indicated that this behavior could be explained by the presence of the formation of RuOx (x = 2,3) caused by the anneal. A short CMP step applied to the annealed Ru wafer removed the surface RuOx, at least partially, resulting in a significant increase of the etching rate. The change in surface roughness was quantified using atomic force microscopy.

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Photoelectron spectroscopy and density functional calculations of CnSm− (n = 2–7; m = 1, 2) clusters

Physical Chemistry Chemical Physics ◽

10.1039/c5cp04482k ◽

2015 ◽

Vol 17 (46) ◽

pp. 31011-31022 ◽

Cited By ~ 5

Author(s):

Xi-Ling Xu ◽

Xiao-Jiao Deng ◽

Hong-Guang Xu ◽

Wei-Jun Zheng

Keyword(s):

Photoelectron Spectroscopy ◽

Density Functional Calculations ◽

Density Functional

The vertical detachment energies of both CnS− and CnS2− (n = 2–7) clusters exhibit a strong odd–even alternation with an increasing number of carbon atoms.

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Anisotropic valence→core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]⋅H2O single crystal: Experimental results and density functional calculations

The Journal of Chemical Physics ◽

10.1063/1.1419062 ◽

2002 ◽

Vol 116 (5) ◽

pp. 2011-2015 ◽

Cited By ~ 38

Author(s):

U. Bergmann ◽

J. Bendix ◽

P. Glatzel ◽

H. B. Gray ◽

S. P. Cramer

Keyword(s):

Single Crystal ◽

Density Functional Calculations ◽

Density Functional ◽

Experimental Results ◽

X Ray

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Investigation of (m=2–5,n=2–3) clusters using photoelectron spectroscopy and density functional calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2013.01.068 ◽

2013 ◽

Vol 564 ◽

pp. 6-10 ◽

Cited By ~ 2

Author(s):

Jinyun Yuan ◽

Hong-Guang Xu ◽

Xiangyu Kong ◽

Weijun Zheng

Keyword(s):

Photoelectron Spectroscopy ◽

Density Functional Calculations ◽

Density Functional

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

Physical Chemistry Chemical Physics ◽

10.1039/c8cp03302a ◽

2018 ◽

Vol 20 (31) ◽

pp. 20622-20628 ◽

Cited By ~ 2

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.

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SIMULATION OF THE ELECTRONIC STRUCTURE OF C(C2H)4 AND Ge(C2H)4 BY THE DENSITY FUNCTIONAL THEORY USING X-RAY PHOTOELECTRON SPECTROSCOPY DATA

Journal of Structural Chemistry ◽

10.1134/s0022476621110044 ◽

2021 ◽

Vol 62 (11) ◽

pp. 1684-1693

Author(s):

M. M. Tatevosyan ◽

T. N. Zhukova ◽

V. G. Vlasenko

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spectroscopy Data ◽

Functional Theory ◽

X Ray ◽

The Density Functional Theory

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