Antoniewicz model

Figure 2 Schematic energy diagram representing the DIET process due to Antoniewicz model, in which the intermediate excited state is a negative ion. The parameters are similar to those given in Fig. 1. The Absicissa is the adsorbate-substrate distance.

FIGU RE 4.7. The Antoniewicz model for electron-stimulated desorption (ESD) of neutral particles [39]. 

Fig. 11.12 Schematic model of the Antoniewicz model for excitation-induced desorption from surfaces. The vertical dashed arrow corresponds to the initial charge transfer event, placing the adsorbate on an ionized adsorbate potential energy surface. Prompt re-neutralization back to the neutral adsorbed potential energy surface results in the adsorbate retaining sufficient kinetic energy ( KE ) for desorption (Reprinted with permission from Ref. [85]. Copyright 1980 American Physical Society)...

The ability of ANNs to model nonlinear data is often crucial. Antoniewicz, Stephanopoulos, and Kelleher have studied the use of ANNs in the estimation of physiological parameters relevant to endocrinology and metabolism.9... 

Antoniewicz, M.R., Stephanopoulos, G., and Kelleher, J.K., Evaluation of regression models in metabolic physiology Predicting fluxes from isotopic data without knowledge of the pathway, Metabolomics 2,41, 2006. 

The theoretical description of photochemistry is historically based on the diabatic representation, where the diabatic models have been given the generic label desorption induced by electronic transitions (DIET) [91]. Such theories were originally developed by Menzel, Gomer and Redhead (MGR) [92,93] for repulsive excited states and later generalized to attractive excited states by Antoniewicz [94]. There are many mechanisms by which photons can induce photochemistry/desorption direct optical excitation of the adsorbate, direct optical excitation of the metal-adsorbate complex (i.e., via a charge-transfer band) or indirectly via substrate mediated excitation (e-h pairs). The differences in these mechanisms lie principally in how localized the relevant electron and hole created by the light are on the adsorbate. 

In the language of reciprocal space, nonlocal metal response refers to the dependence of the metal dielectric constant on the wavevector k of the various plane waves into which any probing electric fields can be decomposed. Such an effect is often mentioned in reports on SERS, but it is usually neglected. One of the oldest papers addressing the importance of nonlocal effects on the polarizability of an adsorbed molecule is the article by Antoniewicz, who studied the static polarizability of a polarizable point dipole close to a linearized Thomas-Fermi metal [63], The static dielectric constant eTF(k) of such a model metal can be written as ... 

Although quantitative calculation of the accurate PESs remains a difficult task (see Section 20.1.2), the two-state-model describes the essential reaction dynamic process and is useful for a qualitative understanding. When the reaction coordinate is set to the adsorbate-surface distance (one-dimension), the two-state-model is called the Menzel-Gomer-Redhead [49] and/or Antoniewicz [50] model. We refer to them as the MGR models. The MGR models are often used successfully to analyze photodesorption on metal surfaces by assuming a short residential time on the excited PES. There are several methods to simulate the quantum dynamics of the MGR models, for example, stochastic wavepacket [51], open density matrix methods [52], and so on. 

Antoniewicz, P.R. (1980) Model for electron-stimulated and photon-stimulated desorption. Phys. Rev. B, 21, 3811-3815. 

The lower panel of Figure 27.12 depicts the principle of molecular desorption after electron attachment, following the model devised by Antoniewicz (1980). In the figure, the curve annotated M + AB represents the potential before electron attachment, and M + AB is associated with the one after electron attachment. The minimum of the M + AB potential is closer to the surface due to the attraction of AB to the surface because of the image potential. 

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