Journal ArticleDOI
On the determination of atomic charge via ESCA including application to organometallics
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TLDR
In this article, a consistent set of relative atomic charges for several light elements has been obtained employing the semi-empirical AM1 method and linear relationships between charges and experimentally determined core-electron ESCA shifts obtained from model compounds were established.About:
This article is published in Journal of Electron Spectroscopy and Related Phenomena.The article was published on 1996-02-01. It has received 154 citations till now. The article focuses on the topics: Charge (physics).read more
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Effect of surface roughness of the titanium alloy Ti-6Al-4V on human bone marrow cell response and on protein adsorption.
Despina D. Deligianni,N Katsala,Spyridon Ladas,D. Sotiropoulou,Joëlle Amédée,Yannis F. Missirlis +5 more
TL;DR: Cell attachment and proliferation were surface roughness sensitive and increased as the roughness of Ti alloy increased, and may be explained by the differential adsorption of the two proteins onto smooth and rough Ti alloy surfaces.
Journal ArticleDOI
Dopant‐Dependent Stability of Garnet Solid Electrolyte Interfaces with Lithium Metal
Yisi Zhu,Justin G. Connell,Sanja Tepavcevic,Peter Zapol,Regina Garcia-Mendez,Nathan J. Taylor,Jeff Sakamoto,Brian J. Ingram,Larry A. Curtiss,John W. Freeland,Dillon D. Fong,Nenad M. Markovic +11 more
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Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks
Mohammad Jaber Alhilaly,Ren-Wu Huang,Rounak Naphade,Badriah Jaber Alamer,Mohamed N. Hedhili,Abdul-Hamid M. Emwas,Partha Maity,Jun Yin,Aleksander Shkurenko,Omar F. Mohammed,Mohamed Eddaoudi,Osman M. Bakr +11 more
TL;DR: This work demonstrates an approach to synthesizing and structurally characterizing three atomically precise anion-templated silver thiolate nanoclusters, two of which form one- and two-dimensional structural frameworks composed of bipyridine-linked nanocluster nodes (referred to as Nanocluster-based frameworks, NCFs).
Journal ArticleDOI
KOH-activated high surface area Douglas Fir biochar for adsorbing aqueous Cr(VI), Pb(II) and Cd(II)
TL;DR: KOH-activated biochar (KOHBC) exhibited much higher adsorption capacities than unactivated DFBC and metal ions spiked into natural and laboratory waste water systems exhibited high sorption capacities.
Journal ArticleDOI
Optimization and mechanism studies on cell disruption and phosphorus recovery from microalgae with magnesium modified hydrochar in assisted hydrothermal system.
TL;DR: An integrated system of a hydrothermal process for microalgae cell disruption to release P and magnesium modified hydrochar adsorption to capture P was set up and there was a close relationship between P and humic-like substance.
References
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Journal ArticleDOI
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
TL;DR: In this paper, a new parametric quantum mechanical molecular model, AM1 (Austin Model l), based on the NDDO approximation, is described, in which the major weaknesses of MNDO, in particular failure to reproduce hydrogen bonds, have been overcome without any increase in computing time.
Book
Practical Surface Analysis
David Briggs,Martin P. Seah +1 more
TL;DR: In this paper, the authors used the carbon C 1s peak at 285 eV as a reference for charge correction in XPS analyses of samples prepared outside the high vacuum chamber relatively thick carbon layers are formed on the surfaces.
Book
High Resolution XPS of Organic Polymers: The Scienta ESCA300 Database
G. Beamson,David Briggs +1 more
TL;DR: In this article, the binding energy scale for sample charging curve fitting lineshapes shake-up structure valence bands impurities x-ray degradation organization of the database list of polymers and acronyms the database appendix 1 - primary C 1s shifts appendix 2 - secondary C 1 s shifts appendix 3.1 - 0 1s binding energies in CHO polymers appendix 4 - N 1 s binding energies appendix 5 - F 1 S binding energies and spin-orbit constants for core-line doublets apendix 7 - binding energies of peaks appearing in the valence band region