The Molecular Structure and Ionization Potential of Si<sub>2</sub>:  The Role of the Excited States in the Photoionization of Si<sub>2</sub>

Dixon, David A.; Feller, David; Peterson, Kirk A.; Gole, James L.

doi:10.1021/jp992078b

Cited by 32 publications

(19 citation statements)

References 48 publications

(82 reference statements)

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“…The appearance energies (AEs) of the atomic and homonuclear species were determined by calibrating the energy scale with the well-established ionization energy of gaseous gold, [31] using the linear extrapolation method. [32] The values so obtained compare favorably with previous determinations (selected literature data are reported in parentheses), confirming that the observed ions were formed by primary ionization processes (values in eV): Si + , 8.1 AE 0.3 (8.149 [31] ); Sn + , 7.3 AE 0.4 (7.342 [31] ); Si 2 + , 7.8 AE 0.3 (7.4 AE 0.4, [33] 7.913 [34] ); Si 3 + , 8.2 AE 0.5 (8.0 [33] ); Si 4 + , 7.7 AE 0.5 (7.6 [33] ); Sn 2 + , 7.0 AE 0.4 (7.06-7.24, [35] 7.2 [36] ); Sn 3 + , 7.4 AE 0.5 (7.58-7.76 [35] , 6.8 [36] ). The AEs of the polyatomic heteronuclear species have been determined to be as follows: Si 2 Sn + , 8.1 AE 0.7; SiSn 2 + , 7.2 AE 0.7; SiSn 3 + , 7.4 AE 0.7.…”

Section: Identification Of Ionssupporting

confidence: 62%

The SiSn Chemical Bond: An Integrated Thermochemical and Quantum Mechanical Study of the SiSn Diatomic Molecule and Small Si–Sn Clusters

Ciccioli

Gigli

Meloni

2009

Chemistry A European J

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The silicon-tin chemical bond has been investigated by a study of the SiSn diatomic molecule and a number of new polyatomic Si(x)Sn(y) molecules. These species, formed in the vapor produced from silicon-tin mixtures at high temperature, were experimentally studied by using a Knudsen effusion mass spectrometric technique. The heteronuclear diatomic SiSn, together with the triatomic Si(2)Sn and SiSn(2) and tetratomic Si(3)Sn, Si(2)Sn(2), and SiSn(3) species, were identified in the vapor and studied in the overall temperature range 1474-1944 K. The atomization energy of all the above molecules was determined for the first time (values in kJ mol(-1)): 233.0+/-7.8 (SiSn), 625.6+/-11.6 (Si(2)Sn), 550.2+/-10.7 (SiSn(2)), 1046.1+/-19.9 (Si(3)Sn), 955.2+/-26.8 (Si(2)Sn(2)), and 860.2+/-19.0 (SiSn(3)). In addition, a computational study of the ground and low-lying excited electronic states of the newly identified molecules has been made. These electronic-structure calculations were performed at the DFT-B3LYP/cc-pVTZ and CCSD(T)/cc-pVTZ levels, and allowed the estimation of reliable molecular parameters and hence the thermal functions of the species under study. Computed atomization energies were also derived by taking into account spin-orbit corrections and extrapolation to the complete basis-set limit. A comparison between experimental and theoretical results is presented. Revised values of (716.5+/-16) kJ mol(-1) (Si(3)) and (440+/-20) kJ mol(-1) (Sn(3)) are also proposed for the atomization energies of the Si(3) and Sn(3) molecules.

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Section: Identification Of Ionssupporting

confidence: 62%

The SiSn Chemical Bond: An Integrated Thermochemical and Quantum Mechanical Study of the SiSn Diatomic Molecule and Small Si–Sn Clusters

Ciccioli

Gigli

Meloni

2009

Chemistry A European J

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“…This confirms the high mobility of atoms in the adsorption phase, which was noted in the work [24]. At present, it is difficult to unequivocally indicate the nature of the protrusions, perhaps they consist of one, two, or several silicon atoms [40,41]. For the current study, the hexagonal structure is most interesting, since it determines an atomic arrangement in the structure (8 × 8).…”

Section: Stm/sts Of the Structure (8 × 8)supporting

confidence: 77%

Van der Waals and Graphene-Like Layers of Silicon Nitride and Aluminum Nitride

Мансуров¹,

Galitsyn²,

Малин³

et al. 2019

2D Materials

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A systematic study of kinetics and thermodynamics of Si (111) surface nitridation under ammonia exposure is presented. The appeared silicon nitride (8 × 8) structure is found to be a metastable phase. Experimental evidences of graphenelike nature of the silicon nitride (8 × 8) structure are presented. Interlayer spacings in the (SiN) 2 (AlN) 4 structure on the Si (111) surface are found equal to 3.3 Å in SiN and 2.86 Å in AlN. These interlayer spacings correspond to weak van der Waals interaction between layers. In contrast to the widely accepted model of a surface structure (8 × 8) as monolayer of β-Si 3 N 4 on Si (111) surface, we propose a new graphene-like Si 3 N 4 (g-Si 3 N 3 and/or g-Si 3 N 4) model for the (8 × 8) structure. It is revealed that the deposition of Al atoms on top of a highly ordered (8 × 8) structure results in graphene-like AlN (g-AlN) layers formation. The g-AlN lattice constant of 3.08 Å is found in a good agreement with the ab initio calculations. A transformation of the g-AlN to the bulk-like wurtzite AlN is analyzed.

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“…The dissociation potential is D 0 0 ðSi 2 Þ ¼ 3:38 eV (the NIST database). The ionization potential is IðSi 2 Þ ¼ 7:92 eV (the experimental value [77]). …”

Section: The Si 2 Moleculementioning

confidence: 99%

Anions in laser-induced plasmas

Shabanov

Gornushkin

2016

Appl. Phys. A

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The equation of state for plasmas containing negative atomic and molecular ions (anions) is modeled. The model is based on the assumption that all ionization processes and chemical reactions are at local thermal equilibrium and the Coulomb interaction in the plasma is described by the Debye-Hückel theory. In particular, the equation of state is obtained for plasmas containing the elements Ca, Cl, C, Si, N, and Ar. The equilibrium reaction constants are calculated using the latest experimental and ab initio data of spectroscopic constants for the molecules CaCl 2 , CaCl, Cl 2 , N 2 , C 2 , Si 2 , CN, SiN, SiC, and their positive and negative ions. The model is applied to laserinduced plasmas (LIPs) by including the equation of state into a fluid dynamic numerical model based on the NavierStokes equations describing an expansion of LIP plumes into an ambient gas as a reactive viscous flow with radiative losses. In particular, the formation of anions Cl -, C -, Si -, Cl À 2 , Si À 2 , C À 2 , CN -, SiC -, and SiN -in LIPs is investigated in detail.

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The Molecular Structure and Ionization Potential of Si₂: The Role of the Excited States in the Photoionization of Si₂

Cited by 32 publications

References 48 publications

The SiSn Chemical Bond: An Integrated Thermochemical and Quantum Mechanical Study of the SiSn Diatomic Molecule and Small Si–Sn Clusters

The SiSn Chemical Bond: An Integrated Thermochemical and Quantum Mechanical Study of the SiSn Diatomic Molecule and Small Si–Sn Clusters

Van der Waals and Graphene-Like Layers of Silicon Nitride and Aluminum Nitride

Anions in laser-induced plasmas

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The Molecular Structure and Ionization Potential of Si2: The Role of the Excited States in the Photoionization of Si2

Cited by 32 publications

References 48 publications

The SiSn Chemical Bond: An Integrated Thermochemical and Quantum Mechanical Study of the SiSn Diatomic Molecule and Small Si–Sn Clusters

The SiSn Chemical Bond: An Integrated Thermochemical and Quantum Mechanical Study of the SiSn Diatomic Molecule and Small Si–Sn Clusters

Van der Waals and Graphene-Like Layers of Silicon Nitride and Aluminum Nitride

Anions in laser-induced plasmas

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Product

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The Molecular Structure and Ionization Potential of Si₂: The Role of the Excited States in the Photoionization of Si₂