The adsorption of Cu on the CeO2(110) surface‡
文献情報
Matthew R. Farrow, Nikolaos Dimitratos, David J. Willock
We report a detailed density functional theory (DFT) study in conjunction with extended X-ray absorption fine structure (EXAFS) experiments on the geometrical and local electronic properties of Cu adatoms and Cu(II) ions in presence of water molecules and of CuO nanoclusters on the CeO2(110) surface. Our study of (CuO)n(=1,2&4) clusters on CeO2(110) shows that based on the Cu–O environment, the geometrical properties of these clusters may vary and their presence may lead to relatively high localization of charge on the exposed surfaces. We find that in the presence of an optimum concentration of water molecules, Cu has a square pyramidal geometry, which agrees well with our experimental findings; we also find that Cu(II) facilitates water adsorption on the CeO2(110) surface. We further show that a critical concentration of water molecules is required for the hydrolysis of water on Cu(OH)2/CeO2(110) and on pristine CeO2(110) surfaces.
関連文献
Vibrational autoionization of state-selective jet-cooled methanethiol (CH3SH) investigated with infrared + vacuum-ultraviolet photoionization
Min Xie, Zhitao Shen, S. T. Pratt
DOI: 10.1039/C7CP06433K
Improved ethanol gas sensing performances of a ZnO/Co3O4 composite induced by its flytrap-like structure
Keng Xu, Li Yang, Yong Yang, Cailei Yuan
DOI: 10.1039/C7CP05228F
Phonon-mediated superconductivity in Mg intercalated bilayer borophenes
Ji-Hai Liao, Yin-Chang Zhao, Hu Xu
DOI: 10.1039/C7CP06180C
Freezing of supercooled n-decane nanodroplets: from surface driven to frustrated crystallization
Viraj P. Modak, Andrew J. Amaya
DOI: 10.1039/C7CP05431A
Impact of iron coordination isomerism on pyoverdine recognition by the FpvA membrane transporter of Pseudomonas aeruginosa‡
Benjamin Bouvier, Christine Cézard
DOI: 10.1039/C7CP04529H
Correction: Photodissociation dynamics of fulvenallene and the fulvenallenyl radical at 248 and 193 nm
Courtney Haibach-Morris
DOI: 10.1039/C7CP90250F
Effect of donor to acceptor ratio on electrochemical and spectroscopic properties of oligoalkylthiophene 1,3,4-oxadiazole derivatives
Aleksandra Kurowska, Pawel Zassowski, Tatyana Yu. Zheleznova, Kseniya V. Andryukhova, Adam Pron, Wojciech Domagala
DOI: 10.1039/C7CP05155G
Axial–equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane
Marcos Juanes, Jean Demaison, Iker León, Alberto Lesarri, Heinz Dieter Rudolph
DOI: 10.1039/C7CP06135H
Concomitant polymorphism and the martensitic-like transformation of an organic crystal
J. Axel Zeitler, Timothy M. Korter
DOI: 10.1039/C7CP04666A
Ultrafast excited-state dynamics of 2,4-dimethylpyrrole
Zhichao Chen, Zhigang He, Kaijun Yuan
DOI: 10.1039/C7CP06292C
こちらもおすすめ
環戊烷-1,3-二甲酸甲酯はどのように合成されますか?
環戊烷-1,3-二甲酸甲酯は、環戊烷と塩酸によるヒンデンブルク反応を経由して合成されます。この反応では、環戊烷が塩酸と作用し、1,3-ジカルボキシ基が導入されま...
4-メトキシ-1,2,3-スチアゼ-3,5-ジオンとは何ですか?
4-メトキシ-1,2,3-スチアゼ-3,5-ジオンは、CAS番号107843-77-6の化合物で、(E)-ベンジル3-(3,4-ジヒドロキシフェニル) acry...
プロスタグランジンA2について「に適用される法規ガイドラインは何ですか?'
プロスタグランジンA2 (CAS番号: 41691-92-3) は、化学物質の安全管理に関する規制として、GHS (危険物質の国際的ハザード分類・ラベル付けシス...
4-アミノ-1-ナフタレン sulfonic 酸についての物理化学的性質は何ですか?
4-アミノ-1-ナフタレン sulfonic 酸のCAS番号は84-86-6です。この化合物は結晶性で、分子量は212.15 g/molです。アルコールや水など...
N-GlcNAc-生物素を取り扱う際の実験室安全事項は何ですか?
N-GlcNAc-生物素は吸収性があり、皮膚や目への接触を避けることが重要です。PPE(個体保護具)は使用し、ドラフトチャンバーは必要に応じて使用します。漏洩時...
3-アミノメチルフローラノピペリジン-1-カルボニル酸テルブチルエステルとは何ですか?
CAS番号1209781-11-2の3-アミノメチルフローラノピペリジン-1-カルボニル酸テルブチルエステルは、有機化合物の一種で、化学式はC10H17FNO3...
6-溴-1-甲基-1H-ベンゾ[d][1,2,3]三氮唑はどのように合成されますか?
6- bromo-1-methyl-1H-benzotriazoleは、ブロモフリオリンと1-メチル-1H-ベンゾ[d][1,2,3]三氮唑の反応により合成され...
4-硫代尿苷はどのように合成されますか?
4-硫代尿苷は、尿素とD-リボシルヒドロキシアルデヒドを用いてスルホン化反応を経て合成されます。通常は塩酸ヒドロキシチオニルスルホン酸などの触媒を使用し、選択性...
ブレインナトリユリックペプチド32ラットとは何ですか?
ブレインナトリユリックペプチド32ラット(CAS番号: 133448-20-1)は、心臓で作られるホルモンの一つで、心不全の診断や予後評価に使用されます。
1-(3-氮杂啶)-4-羟基哌啶双盐酸盐の物理化学的性質は何ですか?
CAS番号810680-60-5の1-(3-氮杂啶)-4-羟基哌啶双盐酸盐は、白色の結晶性粉末である。分子量は360.84 g/molで、水に溶けやすい。反応活...
掲載誌
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.














![N-[(1S,2R,4S)-2-Amino-4-(dimethylcarbamoyl)cyclohexyl]-N'-(5-chloro-2-pyridinyl)ethanediamide structure N-[(1S,2R,4S)-2-Amino-4-(dimethylcarbamoyl)cyclohexyl]-N'-(5-chloro-2-pyridinyl)ethanediamide structure](https://static.chemtradehub.com/structs/480/480452-37-7-0898.webp)