Evidence of the O–Pd–O and Pd–O4 structure units as oxide seeds and their origin on Pd(211): revealing the mechanism of surface oxide formation
Literature Information
Xiran Cheng, Ziyun Wang, Yu Mao, P. Hu
The formation of surface oxides on metal surfaces is not only important in materials science, but also of significance in heterogeneous catalysis due to the fact that during most oxidation reactions the metal catalysts are inevitably oxidized, which may cause dramatic consequences in the reactions. In this work, we perform a thorough investigation on the formation of surface oxides on Pd(211) using advanced first principles calculations. A detailed mechanism of the surface oxide formation is revealed: starting from simple O chemisorption, the step sites of Pd(211) are oxidized by formation of local linear O–Pd–O oxide structures and then planar Pd–O4 structures as the O coverage is increased; the local oxide structures spread out to yield a surface oxide layer, and finally 3-dimesional oxide forms with the increase of the degree of surface oxidation. The structures of O–Pd–O and Pd–O4 are revealed to be the basic units for oxide formation and can be considered as the oxide seeds. The origin of the oxide seed formation is identified, and the understanding of the oxide formation process is provided. A simple equation is derived, which describes the general trend of O vacancy formation in the oxides. The equation may be of great use for understanding oxide formation on Pd surfaces.
Related Literature
Highly dispersed Pd-based pseudo-single atoms in zeolites for hydrogen generation and pollutant disposal
Kai Zhang, Ning Wang, Yali Meng, Tianjun Zhang, Pu Zhao, Jihong Yu
DOI: 10.1039/D3SC05851D
Dipyrrolonaphthyridinedione – (still) a mysterious cross-conjugated chromophore
Bartłomiej Sadowski, Daniel T. Gryko
DOI: 10.1039/D3SC05272A
Improving the potential of paraCEST through magnetic-coupling induced line sharpening
Xin Guo, Jiesheng Hu, Meng Yu, Gyula Tircsó, Jun Tao
DOI: 10.1039/D3SC04770A
Quantitative detection of microRNA-21 in vivo using in situ assembled photoacoustic and SERS nanoprobes
Liting Zheng, Qingqing Li, Ying Wu, Lichao Su, Wei Du, Jibin Song, Lanlan Chen, Huanghao Yang
DOI: 10.1039/D3SC04371A
Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction
Yi-Qi Tian, Lin-Fang Dai, Wen-Lei Mu, Wei-Dong Yu, Jun Yan, Chao Liu
DOI: 10.1039/D3SC06046B
Interface regulation of the Zn anode by using a low concentration electrolyte additive for aqueous Zn batteries
Kuo Wang, Qianrui Li, Guoli Zhang, Shuo Li, Tong Qiu
DOI: 10.1039/D3SC05098J
An erythrocyte membrane-camouflaged fluorescent covalent organic framework for starving/nitric oxide/immunotherapy of triple-negative breast cancer
Fang Yuan, Cuiling Zhang, Xianzhu Luo, Shasha Cheng, Yingxin Zhu, Yuezhong Xian
DOI: 10.1039/D3SC02022C
The phenomenon of “dead” metal in heterogeneous catalysis: opportunities for increasing the efficiency of carbon-supported metal catalysts
Roman M. Mironenko
DOI: 10.1039/D3SC04691E
Effects of altered backbone composition on the folding kinetics and mechanism of an ultrafast-folding protein
Jacqueline R. Santhouse, Jeremy M. G. Leung, Lillian T. Chong, W. Seth Horne
DOI: 10.1039/D3SC03976E
You might also like
What precautions should be taken when handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3)?
When handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3), it ...
What precautions should be taken when handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9)?
When handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9), it...
How should waste containing 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate (CAS: 62921-74-8) be handled?
Waste containing this compound (CAS: 62921-74-8) should be handled according to ...
How should waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate be handled?
Waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate should be collected i...
How is 5-({4-[(2S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-4-yl]-2-thienyl}sulfanyl)-1-methyl-1,3-dihydro-2H-indol-2-one (CAS: 166882-70-8) typically synthesized?
This compound can be synthesized using a multi-step process involving the conjug...
Are there alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid (CAS: 7312-27-8) in synthesis?
There are several alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid in syn...
How should Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84-9) be stored?
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84...
How should waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) be handled?
Waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) should be coll...
How is Methyl 5-iodo-2-methylbenzoate (CAS: 103440-54-6) typically synthesized?
Methyl 5-iodo-2-methylbenzoate can be synthesized through the iodination of meth...
How is 5-Chloro[1,2,4]triazolo[1,5-a]pyridine (CAS: 1427399-34-5) typically synthesized?
5-Chloro[1,2,4]triazolo[1,5-a]pyridine is commonly synthesized via the condensat...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.









![4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine structure 4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine structure](https://static.chemtradehub.com/structs/869/869335-75-1-a9d0.webp)



