Stabilizing the OOH* intermediate via pre-adsorbed surface oxygen of a single Ru atom-bimetallic alloy for ultralow overpotential oxygen generation

2020 ◽  
Vol 13 (12) ◽  
pp. 5152-5164
Author(s):  
Jinsun Lee ◽  
Ashwani Kumar ◽  
Taehun Yang ◽  
Xinghui Liu ◽  
Amol R Jadhav ◽  
...  
Keyword(s):  
Metal Alloy ◽  
Single Atom ◽  
Surface Oxygen ◽  
Oxygen Generation ◽  
Bimetallic Alloy ◽  
Low Overpotential

Achieving an ultra-low overpotential for oxygen generation over pre-adsorbed surface oxygen on a Ru single atom anchored metal alloy.

Dynamic Surface Reconstruction of Single-Atom Bimetallic Alloy under Operando Electrochemical Conditions

Nano Letters ◽  
2020 ◽  
Vol 20 (11) ◽  
pp. 8319-8325
Author(s):  
Xiaokang Liu ◽  
Chengcheng Ao ◽  
Xinyi Shen ◽  
Lan Wang ◽  
Sicong Wang ◽  
...  
Keyword(s):  
Surface Reconstruction ◽  
Single Atom ◽  
Dynamic Surface ◽  
Bimetallic Alloy

scholarly journals Towards stable single-atom catalysts: strong binding of atomically dispersed transition metals on the surface of nanostructured ceria

2016 ◽  
Vol 6 (18) ◽  
pp. 6806-6813 ◽  
Author(s):  
Alberto Figueroba ◽  
Gábor Kovács ◽  
Albert Bruix ◽  
Konstantin M. Neyman
Keyword(s):  
Transition Metals ◽  
Single Atom ◽  
Surface Oxygen ◽  
Strong Binding ◽  
Nanostructured Ceria

Surface oxygen sites on CeO2 nanostructures are able to bind atoms of various transition metals strong enough to prevent their sintering. This finding opens a knowledge-driven way to prepare stable single-atom catalysts with maximum metal efficiency.

CO oxidation over the polyoxometalate-supported single-atom catalysts M1/POM (Fe, Co, Mn, Ru, Rh, Os, Ir, and Pt; POM = [PW12O40]3–): a computational study on the activation of surface oxygen species

2019 ◽  
Vol 48 (18) ◽  
pp. 6228-6235 ◽  
Author(s):  
Chun-Guang Liu ◽  
Li-Long Zhang ◽  
Xue-Mei Chen
Keyword(s):  
Density Functional Theory ◽  
Co Oxidation ◽  
Density Functional ◽  
Computational Study ◽  
Density Functional Theory Calculations ◽  
Catalytic Performance ◽  
Single Atom ◽  
Oxygen Species ◽  
Surface Oxygen ◽  
Functional Theory

Density functional theory calculations have been carried out to explore the catalytic performance of a series of the M1/POM (M = Fe, Co, Mn, Ru, Rh, Os, Ir, and Pt; POM = [PW12O40]3−) single-atom catalysts for CO oxidation.

Surface oxygen vacancies promoted Pt redispersion to single-atom for enhanced photocatalytic hydrogen evolution

2021 ◽  
Author(s):  
Jinmeng Cai ◽  
Ang Cao ◽  
Zhenbin Wang ◽  
Siyu Lu ◽  
Zheng Jiang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Oxygen Vacancies ◽  
Catalytic Properties ◽  
Spillover Effect ◽  
Hydrogen Spillover ◽  
Single Atom ◽  
Surface Oxygen ◽  
Photocatalytic Hydrogen Evolution ◽  
Metal Atoms

Isolating metal atoms on supports for catalysis has attracted great attention for researchers due to the unique catalytic properties. Here we show by utilizing the hydrogen spillover effect at high...

Calculations of NO reduction with CO over a Cu1/PMA single-atom catalyst: a study of surface oxygen species, active sites, and the reaction mechanism

2019 ◽  
Vol 21 (19) ◽  
pp. 9975-9986
Author(s):  
Chun-Guang Liu ◽  
Cong Sun ◽  
Meng-Xu Jiang ◽  
Li-Long Zhang ◽  
Mo-Jie Sun
Keyword(s):  
Density Functional Theory ◽  
Reaction Mechanism ◽  
Active Sites ◽  
Density Functional ◽  
No Reduction ◽  
Density Functional Theory Calculations ◽  
Single Atom ◽  
Oxygen Species ◽  
Surface Oxygen ◽  
Functional Theory

Density functional theory calculations have been employed to probe the reaction mechanism of NO reduction with CO over a Cu1/PMA (PMA is the phosphomolybdate, Cs3PMo12O40) single-atom catalyst.

scholarly journals The Influence of the Oxygen Vacancies on the Pt/TiO2 Single-atom Catalyst – a DFT Study

2021 ◽  
Author(s):  
Yongkang Zhang ◽  
Yuhang Wang ◽  
Kaibin Su ◽  
Fengping Wang
Keyword(s):  
Titanium Dioxide ◽  
Adsorption Energy ◽  
Oxygen Vacancies ◽  
Base Material ◽  
Dft Study ◽  
Single Atom ◽  
Surface Oxygen ◽  
Band Center ◽  
Common Defect

Abstract The titanium dioxide (TiO2) surface is suitable as a substrate for single-atom catalysts(SACs). As a common defect on TiO2, oxygen vacancies may have a significant impact on the adsorption and activity of the adatoms. This work aims to investigate whether titanium dioxide containing surface oxygen vacancies is more suitable as a base material for SACs. This paper calculates the changes in the adsorption energy of Pt atom and the energy of the d-band center on the perfect surface and the surface containing oxygen vacancies. Concerning the perfect surface, the surface containing oxygen vacancies fixes the Pt atom more firmly, and increases the center energy of the d-band of Pt, thereby improving the performance of Pt atom as SACs. Consequently, the (110) surface of Rutile TiO2 with oxygen vacancies may be the best substrate for SACs.

Single Atom Image Contrast in Fixed Beam Dark Field Electron Microscopy

1974 ◽  
Vol 32 ◽  
pp. 366-367
Author(s):  
Wah Chi
Keyword(s):  
Scattering Amplitude ◽  
Present Report ◽  
Dark Field ◽  
Image Contrast ◽  
Single Atom ◽  
Optical Theorem ◽  
Hartree Fock ◽  
Heavy Atoms ◽  
Beam Stop ◽  
Fixed Beam

Resolution and contrast are the important factors to determine the feasibility of imaging single heavy atoms on a thin substrate in an electron microscope. The present report compares the atom image characteristics in different modes of fixed beam dark field microscopy including the ideal beam stop (IBS), a wire beam stop (WBS), tilted illumination (Tl) and a displaced aperture (DA). Image contrast between one Hg and a column of linearly aligned carbon atoms (representing the substrate), are also discussed. The assumptions in the present calculations are perfectly coherent illumination, atom object is represented by spherically symmetric potential derived from Relativistic Hartree Fock Slater wave functions, phase grating approximation is used to evaluate the complex scattering amplitude, inelastic scattering is ignored, phase distortion is solely due to defocus and spherical abberation, and total elastic scattering cross section is evaluated by the Optical Theorem. The atom image intensities are presented in a Z-modulation display, and the details of calculation are described elsewhere.

Atomic Spectroscopy in the FIM

1986 ◽  
Vol 44 ◽  
pp. 758-761
Author(s):  
J. J. Hren ◽  
S. D. Walck
Keyword(s):  
Electron Microscope ◽  
Electric Fields ◽  
Atom Probe ◽  
Atomic Spectroscopy ◽  
Single Atom ◽  
Statistical Sampling ◽  
Commercial Instrument ◽  
Available Technology ◽  
High Electric Fields ◽  
Field Ion Microscope

The field ion microscope (FIM) has had the ability to routinely image the surface atoms of metals since Mueller perfected it in 1956. Since 1967, the TOF Atom Probe has had single atom sensitivity in conjunction with the FIM. “Why then hasn't the FIM enjoyed the success of the electron microscope?” The answer is closely related to the evolution of FIM/Atom Probe techniques and the available technology. This paper will review this evolution from Mueller's early discoveries, to the development of a viable commercial instrument. It will touch upon some important contributions of individuals and groups, but will not attempt to be all inclusive. Variations in instrumentation that define the class of problems for which the FIM/AP is uniquely suited and those for which it is not will be described. The influence of high electric fields inherent to the technique on the specimens studied will also be discussed. The specimen geometry as it relates to preparation, statistical sampling and compatibility with the TEM will be examined.

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