Topics

Investigating Charge Transfer Interactions in AuCeO Clusters Using Photoionization Efficiency Spectroscopy and Density Functional Theory.

07:00 EST 8th November 2019 | BioPortfolio

Summary of "Investigating Charge Transfer Interactions in AuCeO Clusters Using Photoionization Efficiency Spectroscopy and Density Functional Theory."

The properties of small cerium oxide and gold-cerium oxide clusters were explored as analogues for gold deposition at defect sites on a cerium oxide surface. CeO ( = 0-2) and AuCeO ( = 0-2) clusters were prepared in the gas phase and investigated using photoionization efficiency spectroscopy complemented by spectral simulations based on DFT calculations; purely theoretical investigations were conducted on the CeO, CeO, AuCeO, and AuCeO clusters due to these species not being detected. The optimized AuCeO ( = 0-3) cluster geometries are consistent with Au adsorption to oxygen vacancy sites while the AuCeO cluster correlates with Au adsorption to a CeO vacancy site. The electronic properties of the adsorbed Au atom depend strongly on the nature of the ceria adsorption site: O vacancy-adsorbed Au is negatively charged with a Ce → Au charge transfer occurring at the adsorption interface, whereas Au adsorbed to a CeO vacancy is positively charged with an Au → Ce charge transfer. The adsorbed Au atom is proposed to enhance the catalytic properties of the AuCeO cluster by (i) stabilizing the negatively charged Au atom on reduced AuCeO clusters to enhance nucleophilicity; (ii) increasing the electron accepting capability of the AuCeO species; (iii) destabilizing the HOMO of the AuCeO cluster; and (iv) facilitating the abstraction of additional surface oxygen atoms by reactants.

Affiliation

Journal Details

This article was published in the following journal.

Name: The journal of physical chemistry. A
ISSN: 1520-5215
Pages:

Links

DeepDyve research library

PubMed Articles [11557 Associated PubMed Articles listed on BioPortfolio]

Ultrafast photoinduced energy and charge transfer.

After presenting the basic theoretical models of excitation energy transfer and charge transfer, I describe some of the novel experimental methods used to probe them. Finally, I discuss recent results...

Coexistence of Different Charge Transfer Mechanisms in the Hot Carrier Dynamics of Hybrid Plasmonic Nanomaterials.

Hot-carrier dynamics at interfaces of semiconductors and nanoclusters is of significant importance for photovoltaic and photocatalytic applications. Plasmon-driven charge separation processes are cons...

Synergy of Electron-transfer and Charge-transfer in the Control of Photodynamic Behavior of Coordination Polymer.

Photodynamic behaviour controlled by the synergy of electron-transfer and charge-transfer has been presented in two regioisomeric pyridinium-bearing coordination polymers (Cd-Bip and Cd-Bpy) with the ...

Optical Absorption by Charge-Transfer Molecules.

An analytical formalism is developed for the calculation of absorption of radiation by charge-transfer molecules with electronic density delocalized between the donor and acceptor parts. The theory co...

Multiple pathways of charge recombination revealed by the temperature dependence of electron transfer kinetics in cyanobacterial photosystem I.

The kinetics of charge recombination in Photosystem I P-F/F complexes and P-F cores lacking the terminal iron‑sulfur clusters were studied over a temperatures range of 310 K to 4.2 K. Analysis o...

Clinical Trials [3359 Associated Clinical Trials listed on BioPortfolio]

Remote Activity Monitored by Fitbit Charge 2 in Investigating Daily Step and Sleep Data in Participants With Head and Neck Cancer Undergoing Radiation Therapy

This pilot trial studies remote activity monitored by Fitbit Charge 2 in investigating daily step and sleep data in participants with head and neck cancer who are undergoing radiation ther...

Entropy Analysis and Complex Patient-ventilator Interactions During Mechanical Ventilation

Complex patterns of patient-ventilator interactions could be miscalculated by visual observation of mechanical ventilator screens or current algorithms based on physiologic waveforms to de...

Change in Symptom Clusters in HNC Patients

Head and neck cancer (HNC) is the sixth most common malignancy worldwide, causing more than 379,000 deaths in 2015 notwithstanding the breakthrough in cancer screening and medical treatmen...

Does the Embryo Transfer Technique Affect the Success of in Vitro Fertilization?

Prospective, open, randomized, parallel, two-arm trial to compare the clinical pregnancy rate between most commonly used two embryo transfer techniques: trial followed by transfer techniqu...

PooR Embryo Yield Cleavage Stage Versus blaStocyst Embryo Transfer

The purpose of this study is to compare IVF outcomes between day 3 and day 5 embryo transfer in patients with five or fewer embryos in a fresh embryo transfer in vitro fertilization (IVF) ...

Medical and Biotech [MESH] Definitions

An atom or group of atoms that have a positive or negative electric charge due to a gain (negative charge) or loss (positive charge) of one or more electrons. Atoms with a positive charge are known as CATIONS; those with a negative charge are ANIONS.

The field that studies interactions between individuals and the built and natural environment. It includes investigating behaviors that inhibit or foster sustainable, climate-healthy, and nature-enhancing choices.

Rare disease characterized by COLOBOMA; CHOANAL ATRESIA; and abnormal SEMICIRCULAR CANALS. Mutations in CHD7 protein resulting in disturbed neural crest development are associated with CHARGE Syndrome.

The transfer of energy of a given form among different scales of motion. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed). It includes the transfer of kinetic energy and the transfer of chemical energy. The transfer of chemical energy from one molecule to another depends on proximity of molecules so it is often used as in techniques to measure distance such as the use of FORSTER RESONANCE ENERGY TRANSFER.

Screening techniques first developed in yeast to identify genes encoding interacting proteins. Variations are used to evaluate interplay between proteins and other molecules. Two-hybrid techniques refer to analysis for protein-protein interactions, one-hybrid for DNA-protein interactions, three-hybrid interactions for RNA-protein interactions or ligand-based interactions. Reverse n-hybrid techniques refer to analysis for mutations or other small molecules that dissociate known interactions.

Quick Search


DeepDyve research library

Searches Linking to this Article