Interactions of CO<sub>2</sub> and CO at fractional atmosphere pressures with iron and iron oxide surfaces: one possible mechanism for surface contamination?

Miller, David C.; Biesinger, Mark C.; McIntyre, N. S.

doi:10.1002/sia.1188

Cited by 250 publications

(178 citation statements)

References 17 publications

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“…To begin, the binding energies (BEs) were adjusted for electrostatic charge buildup using the C1s peak from adventitious C-C/C-H. Whereas this adjustment is routine for clean metals and metal oxides, 64 the fitting of the C1s region will be discussed in detail because the present work examines graphite-based materials that contain organic binders (sodium carboxymethyl cellulose and styrene butadiene rubber) and that are predicted to have an organic SEI surface layer.…”

Section: Resultsmentioning

confidence: 99%

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

Hall

Nie

Ellis

et al. 2016

J. Electrochem. Soc.

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The use of electrolyte additives to form a passive solid-electrolyte interphase (SEI) at one or both electrodes is a common method for improving lithium-ion cell lifetime and performance. This work follows the chemical and electrochemical processes involved in SEI formation on graphite electrodes for two Lewis acid-base adducts, pyridine boron trifluoride (PBF) and pyridine phosphorus pentafluoride (PPF). The combination of experimental methods (electrochemistry, in situ volumetric measurements, gas chromatography, isothermal microcalorimetry, and X-ray photoelectron spectroscopy) with quantum chemistry models (density functional theory) provides new insight into the interfacial chemistry. PBF and PPF are reduced at ∼1.3 V vs. Li/Li + and ∼1.4 V, respectively. This is followed by radical coupling to form 4,4 -bipyridine adducts, hydrogen transfer to ethylene carbonate solvent molecules, and reduction of the solvent to produce lithium ethyl carbonate. The reduced bipyridine adducts, Li 2 (PBF) 2 Over the past decade, the predominant electrolyte solution used in lithium-ion cells has remained lithium hexafluorophosphate (LiPF 6 ) salt dissolved in some blend of organic carbonate solvents.1 This is not, however, an indication that advances in cell solution chemistry have stagnated, but it is rather a result of a major shift to focus on electrolyte additives. By adding just a few weight percent of the right compounds to the electrolyte solution before cells are filled, one can significantly improve charge-discharge cycling performance, extend calendar lifetime, decrease detrimental gas formation, and improve lithium-ion cell safety. [1][2][3][4][5] This move to electrolyte additives has the rather practical aspect that the battery industry can tweak performance with minimal changes to their existing supply chains for LiPF 6 and solvents.1 This article will focus on Li(Ni a Mn b Co 1−a−b )O 2 (NMC)/graphite cells, for which vinylene carbonate (VC), [6][7][8][9][10] prop-1-ene-1,3-sultone (PES), [8][9][10][11][12][13][14][15] methylene methane disulfonate (MMDS), tris(trimethylsilyl) phosphite (TTSPi), 16,17 and triallyl phosphate (TAP) 18,19 are among the best reported additives. Recently, Nie et al. introduced a series of Lewis acid-base adducts that may be used individually or as part of an additive blend. [20][21][22] In particular, pyridine boron trifluoride (PBF) and pyridine phosphorus pentafluoride (PPF) offer improved charge capacity retention after cycling at high temperature and high cell voltage. 20 It is these latter two additives that will be closely examined in this article, chosen because they are still quite new and, so far, relatively unstudied.If one is to optimize the solution chemistry in lithium-ion cells for various applications (high temperature, high power, etc.), it is clearly desirable to have thoroughly characterized the chemical and electrochemical reactions in a cell, including all those of the various electrolyte additives. Unfortunately, such a detailed understanding of the many proces...

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Section: Resultsmentioning

confidence: 99%

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

Hall

Nie

Ellis

et al. 2016

J. Electrochem. Soc.

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“…The process has an associated error of at least ±0.1 to ±0.2 eV. [19] Experience with numerous conducting samples and a routinely calibrated instrument have shown that the C 1s signal generally ranges from 284.7 eV to as high as 285.2 eV [M.C. Biesinger, unpublished results].…”

Section: Methodsmentioning

confidence: 99%

X‐ray photoelectron spectroscopic chemical state quantification of mixed nickel metal, oxide and hydroxide systems

Biesinger

Payne

Lau

et al. 2009

Surface & Interface Analysis

1,470

124

939

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Quantitative chemical state X-ray photoelectron spectroscopic analysis of mixed nickel metal, oxide, hydroxide and oxyhydroxide systems is challenging due to the complexity of the Ni 2p peak shapes resulting from multiplet splitting, shake-up and plasmon loss structures. Quantification of mixed nickel chemical states and the qualitative determination of low concentrations of Ni(III) species are demonstrated via an approach based on standard spectra from quality reference samples (Ni, NiO, Ni(OH) 2 , NiOOH), subtraction of these spectra, and data analysis that integrates information from the Ni 2p spectrum and the O 1s spectra. Quantification of a commercial nickel powder and a thin nickel oxide film grown at 1-Torr O 2 and 300 • C for 20 min is demonstrated. The effect of uncertain relative sensitivity factors (e.g. Ni 2.67 ± 0.54) is discussed, as is the depth of measurement for thin film analysis based on calculated inelastic mean free paths.

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“…As the core levels of different chemical elements easily differ by tens to hundreds of electron-volts (eV), the peaks in the photoelectron distribution as a function of kinetic energy provide us with information on which chemical elements are present and, to a very good approximation, their relative abundance in a sample. When focusing on the photoelectron signals coming from one particular core level of one particular element, the different local environments around the targeted ions can result in a multi-peak structure, typically within an energy range of about 10 eV, from which the oxidation states of the probed element can be inferred [5][6][7]. A more sophisticated aspect of XPS is the electron screening due to the created core hole [3]: once a photoelectron is generated, the sample is left with a core hole (positively charged) that modifies the potential of valence electrons.…”

Section: Introductionmentioning

confidence: 99%

Final-state effect on x-ray photoelectron spectrum of nominallyd1andn-dopedd0transition-metal oxides

et al. 2015

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Interactions of CO₂ and CO at fractional atmosphere pressures with iron and iron oxide surfaces: one possible mechanism for surface contamination?

Cited by 250 publications

References 17 publications

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

X‐ray photoelectron spectroscopic chemical state quantification of mixed nickel metal, oxide and hydroxide systems

Final-state effect on x-ray photoelectron spectrum of nominallyd1andn-dopedd0transition-metal oxides

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Interactions of CO2 and CO at fractional atmosphere pressures with iron and iron oxide surfaces: one possible mechanism for surface contamination?

Cited by 250 publications

References 17 publications

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

X‐ray photoelectron spectroscopic chemical state quantification of mixed nickel metal, oxide and hydroxide systems

Final-state effect on x-ray photoelectron spectrum of nominallyd1andn-dopedd0transition-metal oxides

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Interactions of CO₂ and CO at fractional atmosphere pressures with iron and iron oxide surfaces: one possible mechanism for surface contamination?