This PDF file contains the front matter associated with SPIE Proceedings Volume 12337, including the Title Page, Copyright information, Table of Contents, and Conference Committee information.

Solar energy will be the largest single source of electricity in a low-carbon future. To maximise the potential of solar power, new materials and technologies will be needed to harvest and convert solar energy alongside the dominant, silicon-based photovoltaic technology. Molecular electronic materials, such as conjugated polymers and molecules, are appealing because of the potential to tune their properties through chemical design and their compatibility with high-throughput manufacture. Through a remarkable series of advances in materials design, the efficiency of photovoltaic energy conversion in molecular materials has risen from 1% to around 20% within two decades, surpassing most predictions. We will discuss the function and status of molecular solar cells as well as the challenges and opportunities for further development.

In this report, the effect of the prelithiation process on the composition of the Solid Electrolyte Interphase (SEI) formed on Si anodes was investigated. It was demonstrated that the dry chemical method used for prelithiation compensate at least in part, the high first cycle irreversible capacity loss. X-ray Photoelectron Spectroscopy was used to determine the composition of the SEI at the end of the cycling process and compare it to previous studies carried out on these model electrodes. It was found that the prelithiation method does not interfere with the SEI dynamics, and both prelithiated and pristine samples show a very similar SEI composition. The method is thus suitable to compensate the first cycle irreversible capacity loss, however it does not help mitigating the underlaying SEI instability issue.

Spinel oxides, AB2O4, have been identified as potential photocatalysts for the water splitting process. Their formula can be written as (A1-xBx)[B2-xAx]O4 where () and [] represent the atoms occupying tetrahedral and octahedral sites, respectively. x is the degree of inversion (0 ≤ x ≤ 1), which can affect properties of spinels. A combination of density functional theory (DFT) calculations and experimental x-ray photoelectron spectroscopy (XPS) have been used to study CoFe2O4 and ZnFe2O4 samples. The core level calculations complemented the analysis of the XPS of the transition metals to understand the degree of inversion and possible oxidation state changes.

Thin films on the nanoscale represent a solution to the balance between a nanomaterial of beneficial architectural properties and one of functional chemical properties. Due to the size range involved, XPS and related techniques represent an obvious analytical process by which to investigate these films. Here, typical and atypical use of XPS, along with REELS, ISS and several additional techniques is discussed in order to fully explore synthetical procedures and new materials in the development of advanced functional materials for fields such as catalysis and medical devices.

Interpretation of the lineshape in XPS is often crucial to reliable analysis of core level spectra. A major contributor to the lineshape is thermal broadening of the ground state. The effect of thermal broadening on the linewidth of core level and valence band spectra was explored for a series of alkali metal halides: CsF, CsI, NaF, NaI and related compounds. Variation in temperature from -100 °C to +100 °C led to changes in the linewidths for both core level and valence band spectra. Interpretation of the valence band region was supported by theoretical spectra, simulated using density functional theory.

Cu-MOFs of different structures were prepared via microwave-assisted solvothermal synthesis and applied as carriers for anticancer drug delivery. This study’s objective was to understand the host-guest chemistry between gliotoxin and the synthesized Cu-MOFs to control the loading and release of the drug. XPS and XAS at the C1s, O1s, N1s, S2P, and Cu2p were performed on the Cu-MOFs of different structures, namely GIFKUC and RAWYAS, before and after immobilization of gliotoxin to confirm the immobilization of the drug and to identify the coordination sites and nature of intra- and inter-molecular interactions involved.

Corrosion of metals arising from exposure to humid air is a pervasive problem. Frequently, it is hypothesised that this phenomenon arises once there is sufficient surface bound water to facilitate corrosion chemistry, but supporting evidence remains scarce. In this presentation, we deliver fresh insight through the application of near ambient pressure X-ray photoelectron spectroscopy and vibrational sum frequency spectroscopy. Data indicate that water sorption is more complex than expected, comprising absorption into a layer of adventitious carbon covering the metallic substrate, followed by nucleation as droplets. These results demonstrate that current models for atmospheric corrosion require considerable revision.

We present a new beamline for Versatile Soft X-ray Spectroscopy at Diamond Light Source, VerSoX B07-B, with a medium X-rays flux in the photon energy range 45-2200 eV. B07-B has two endstations permitting studies of a wide range of interfaces and materials. ES-2 enables high-throughput NEXAFS (Near-Edge X-ray Absorption Fine Spectroscopy) under ambient-pressure conditions, ES-1 is dedicated to high-throughput X-ray Photoelectron Spectroscopy (XPS) and in ultra-high vacuum (UHV). ES-1 is fully motorised and automated; it is equipped with fast entry lock, rotary distribution, sample storage and two sample preparation chambers for standard UHV sample preparation and characterisation.

Metallic lithium electrodes hold promise for increasing the energy density of Li-ion batteries, and when used in conjunction with solid electrolytes, adverse safety implications associated with dendrite formation in organic liquid electrolytes can be overcome. To better understand the stability of solid electrolytes when in contact with lithium and the reactions that occur, we utilise hard X-ray photoelectron spectroscopy to access the chemistry of the buried electrode-electrolyte interfaces. We thus present an experimental approach for preparation and cycling of cells in an ultra-high vacuum environment. Cell preparation consists of evaporation of an ultra-thin (20-50 nm), X-ray transparent lithium film, to study the Li-electrolyte interface. Herein, we discuss the detection of different chemical species formed during the first lithium metal stripping and plating cycles of an all solid-state lithium ion battery.