Molecular Surface Structure of a Low-Temperature Ice Ih(0001) Crystal

Materer, Nicholas F.; Starke, U.; Barbieri, A.; Hove, A M van; Somorjai, G.A.; Kroes, G. J.; Minot, Christian

doi:10.1021/j100017a002

Cited by 139 publications

(151 citation statements)

References 3 publications

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“…8b). The creative applications of tensor LEED to the covalent-bonded and ionicbonded materials such as NaCl [47] and ice [48,49] further proved the generality of the concept of 'flexible surface' (Fig. 9a, b).…”

Section: The Development Of Low Energy Electron Diffraction (Leed) Sumentioning

confidence: 89%

Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis

Somorjai

2010

Top Catal

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Experimental discoveries followed by theoretical interpretations that pave the way of further advances by experimentalists is a developing pattern in modern surface chemistry and catalysis. The revolution of modern surface science started with the development of surfacesensitive techniques such as LEED, XPS, AES, ISS and SIMS, in which the close collaboration between experimentalists and theorists led to the quantitative determination of surface structure and composition. The experimental discovery of the chemical activity of surface defects and the trends in the reactivity of transitional metals followed by the explanations from the theoretical studies led to the molecular level understanding of active sites in catalysis. The molecular level knowledge, in turn, provided a guide for experiments to search for new generation of catalysts. These and many other examples of successes in experiment-and-theory-combined studies demonstrate the importance of the collaboration between experimentalists and theorists in the development of modern surface science.

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Section: The Development Of Low Energy Electron Diffraction (Leed) Sumentioning

confidence: 89%

Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis

Somorjai

2010

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“…Recently, three very different surface structures have emerged from detailed LEED studies which display markedly enhanced surface vibrations (or similar static disorder indicating the coexistence of energetically similar structures): H 2 O(0001) (water ice) [19], Al 2 O 3 (0001) [20], and Ga(010) [21].…”

Section: Introductionmentioning

confidence: 99%

Atomic structure of the cleavedSi(111)−(2×1)surface refined by dynamical LEED

Xu¹,

Deng²,

Yu³

et al. 2004

Phys. Rev. B

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New or modified models have been proposed for the much-studied Si(111)-(2x1) surface structure, including: a reverse-tilted π-bonded chain model (by Zitzlsperger et al); a three-bond scission model (by Haneman et al); and a π-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified π-bonded chain model (by Himpsel et al, 1984), by analyzing low-energy electron diffraction (LEED) I-V curves measured earlier. Using the efficient automated tensor LEED technique, the models can be refined to a much greater degree than with earlier methods of LEED analysis. This study distinctly favors the earlier modified π-bonded chain model, but with strongly enhanced vibrations.To compare models that have different numbers of adjustable free parameters a Hamilton ratio test is used: it can distinguish between improvement due to a better model and improvement due only to more parameters.

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“…We also confirmed that the solid phase that occurs under the lower loads (50 and 150 MPa) has the same crystalline structure. It appears that the structure of this bilayer ice crystal resembles none of the structures of existing ice polymorphs nor those of ices found in metallic or hydrophilic pores [1,[14][15][16][17]. The top view of the bilayer [ Fig.…”

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confidence: 99%