Advanced XPS characterization: XPS-based multi-technique analyses for comprehensive understanding of functional materials

Isaacs, Mark A.; Davies-Jones, Josh A.; Davies, Philip R.; Guan, Shaoliang; Lee, Roxy; Morgan, David; Palgrave, Robert G.

doi:10.1039/d1qm00969a

Cited by 64 publications

(41 citation statements)

References 382 publications

(370 reference statements)

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“…While there are so far few examples for the use of GCIS in battery research, it offers promise due to its ability to sputter etch soft materials without leaving much chemical damage. 81,82 This is a result of using large clusters of argon atoms (up to several thousand atoms) with large incident energies (up to tens of thousands eV), giving a low average energy per atom. The low energy prevents significant chemical damage, but the large clusters allow for the removal of material from the sample at appreciable rates (though often not so high rate as for monatomic sputter etching).…”

Section: Ion Sputter Etchingmentioning

confidence: 99%

Advances in studying interfacial reactions in rechargeable batteries by photoelectron spectroscopy

et al. 2022

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Section: Ion Sputter Etchingmentioning

confidence: 99%

Advances in studying interfacial reactions in rechargeable batteries by photoelectron spectroscopy

et al. 2022

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“…XPS is well known as a method for the analysis of the chemical structure and composition of surfaces since it may examine a depth profile of ca. some nanometers . However, such examination depth is on the order of the size of the SiNPs herein studied.…”

Section: Resultsmentioning

confidence: 97%

“…some nanometers. 35 However, such examination depth is on the order of the size of the SiNPs herein studied. Therefore, the surface or body location of observed chloro iminium siloxyl-like functionalities cannot be ascertained.…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

Incorporation of N and O into the Shell of Silicon Nanoparticles Offers Tunable Photoluminescence for Imaging Uses

Romero¹,

Dell’Arciprete

Rodríguez

et al. 2022

ACS Appl. Nano Mater.

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Silicon nanoparticles (SiNPs) show tunable photoluminescence (PL), water-dispersibility, high photostability, and low cytotoxicity, thus constituting promising candidates for bioimaging applications. Because SiNP PL depends finely on particles’ crystallinity and surface composition, specific tuning of PL properties has remained elusive. Herein, using steady and time-resolved PL studies, absorbance spectroscopy, and electrochemical techniques, we have deeply analyzed the origin of the PL of SiNPs obtained from a wet chemical synthesis procedure based on the oxidation of Zintl salts in dimethyl formamide (DMF). Obtained SiNPs, surface-functionalized with propylamine terminal groups, were amorphous and 2.8–3.7 nm in size. The photophysical evidence, together with XPS and FTIR spectroscopy, supported a core–shell structure of the nanoparticles consisting of a silicon core surrounded by a 0.7–1.25 nm-thick oxidized silicon shell containing low concentrations of trapped iminium siloxyl ions or related compounds. The introduction of N-functionalities in the nanoparticle shell was assigned to the reaction of Si–Cl and Si–H bonds formed during synthesis, with DMF. The use of increasing amounts of NH4Cl in the synthesis procedure led to more oxidized shell structures of SiNPs. It is suggested that the presence of an oxidized silicon shell containing trapped iminium siloxyl ions provided a high density of localized states capable of quenching the core-state emission and of being themselves populated by absorption of visible light. Moreover, it was experimentally confirmed that emission preferentially takes place from localized states introduced by O-functionalities with a high quantum efficiency (ηPL‑trap ≅ 1). As fluorophores, the obtained SiNPs display tunable PL emission and an important red-edge shift, allowing the selection of the PL by changing the excitation wavelength without modification of its chemical composition and size, thus meeting the needs of various types of biosensing methods.

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“…As an example, the deconvolution of the C 1s spectral region can be used to assess the ratio of the C–C/CC, C–O/C–N, and CO/CN groups and verify how this varies with some parameters in CND preparation . It should be pointed out, however, that due to the typical size of CNDs, XPS measurements may provide information due to both the nanoparticle core and surface. , …”

Section: In Silico Methods For Cnd Studiesmentioning

confidence: 99%

“…34 It should be pointed out, however, that due to the typical size of CNDs, XPS measurements may provide information due to both the nanoparticle core and surface. 434,435 2.3.1.7. Nuclear Magnetic Resonance Spectroscopy.…”

Section: Building Cnd Model Structuresmentioning

confidence: 99%

Carbon Nanodots from an In Silico Perspective

et al. 2022

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Carbon nanodots (CNDs) are the latest and most shining rising stars among photoluminescent (PL) nanomaterials. These carbon-based surface-passivated nanostructures compete with other related PL materials, including traditional semiconductor quantum dots and organic dyes, with a long list of benefits and emerging applications. Advantages of CNDs include tunable inherent optical properties and high photostability, rich possibilities for surface functionalization and doping, dispersibility, low toxicity, and viable synthesis (top-down and bottom-up) from organic materials. CNDs can be applied to biomedicine including imaging and sensing, drug-delivery, photodynamic therapy, photocatalysis but also to energy harvesting in solar cells and as LEDs. More applications are reported continuously, making this already a research field of its own. Understanding of the properties of CNDs requires one to go to the levels of electrons, atoms, molecules, and nanostructures at different scales using modern molecular modeling and to correlate it tightly with experiments. This review highlights different in silico techniques and studies, from quantum chemistry to the mesoscale, with particular reference to carbon nanodots, carbonaceous nanoparticles whose structural and photophysical properties are not fully elucidated. The role of experimental investigation is also presented. Hereby, we hope to encourage the reader to investigate CNDs and to apply virtual chemistry to obtain further insights needed to customize these amazing systems for novel prospective applications.

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Advanced XPS characterization: XPS-based multi-technique analyses for comprehensive understanding of functional materials

Abstract: X-ray photoelectron spectroscopy (XPS) has achieved maturity as an analytical technique in that it is a ubiquitous tool in the materials community, however as made apparent by recent reviews highlighting...

Cited by 64 publications

References 382 publications

Advances in studying interfacial reactions in rechargeable batteries by photoelectron spectroscopy

Advances in studying interfacial reactions in rechargeable batteries by photoelectron spectroscopy

Incorporation of N and O into the Shell of Silicon Nanoparticles Offers Tunable Photoluminescence for Imaging Uses

Carbon Nanodots from an In Silico Perspective

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