Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces

文献信息

发布日期 2011-07-07

DOI 10.1039/C1CP20974D

影响因子 3.676

作者

Ren-Yu Tian, Xiao-Bao Yang, Song-Lin Peng

查看原文

摘要

NO co-adsorption with X (X = Na, O, S, and Cl) on Au and Pd(111) surfaces is studied using density functional theory (DFT) calculations to get a deeper insight into the extraordinary sulfur enhanced adsorption on the Au surface. It is found that both electronegative and electropositive adatoms can enhance NO adsorption on Au(111). In Na + NO/Au(111), the strong electrostatic attraction between Na and NO dominates and stabilizes NO adsorption, though Na-induced surface negative charging weakens NO adsorption. In (O, S, Cl) + NO/Au, the electronegative atoms would induce a slight surface distortion and enhance NO adsorption accordingly. NO adsorption on Pd(111) is enhanced by Na, but weakened by electronegative species. We suggest that the unique features of noble metals, i.e., the narrow DOS at the Fermi level (EF) and the deep buried d-band center, should play an important role in the promotion of NO adsorption on their surface as the CO case.

期刊推荐

Cement and Concrete Composites

Advanced Composite Materials

Journal of Computer-Aided Molecular Design

Synlett

Composite Interfaces

Journal of Physical Organic Chemistry

Main Group Metal Chemistry

Advanced Materials

Computational Materials Science

Current Medicinal Chemistry

来源期刊

Physical Chemistry Chemical Physics

CiteScore: 5.5

自引率: 10.3%

年发文量: 3036

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.

Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces

文献信息

期刊推荐

相关文献

Peptide directed phthalocyanine–gold nanoparticles for selective photodynamic therapy of EGFR overexpressing cancers

Highly improved performance of a film-based fluorescent sensor via a nanomesh scaffold strategy

Functionalized resorcinarenes effectively disrupt the aggregation of αA66-80 crystallin peptide related to cataracts

Synthesis and biological screening of a library of macamides as TNF-α inhibitors

Back cover

Synthesis and pharmacological evaluation of [18F]PBR316: a novel PET ligand targeting the translocator protein 18 kDa (TSPO) with low binding sensitivity to human single nucleotide polymorphism rs6971

Synthesis of low-molecular weight fucoidan derivatives and their binding abilities to SARS-CoV-2 spike proteins

Estimating the cooperativity of PROTAC-induced ternary complexes using 19F NMR displacement assay

Recent advances in synthetic and medicinal chemistry of phosphotyrosine and phosphonate-based phosphotyrosine analogues

Identification of LASSBio-1945 as an inhibitor of SARS-CoV-2 main protease (MPRO) through in silico screening supported by molecular docking and a fragment-based pharmacophore model

您可能还喜欢

3 - （二氟甲基）-1 -氟苯(CAS号：26029-52-7)适用哪些法规指南？

3,5-二甲基苯胺(CAS号：108-69-0)通常如何合成？

3-甲基异噻唑-5-胺(CAS号：24340-76-9)安全吗？

3-(1,3-Thiazol-2-yl)-1H-indole(CAS号：135531-86-1)通常如何合成？

4-溴-2-氟苯甲基氯(CAS号：85510-82-3)的主要用途是什么？

处理Fmoc-β-(3-噻吩基)-D-Ala-OH(CAS号：220497-90-5)时应注意哪些实验室安全事项？

氮化硅(CAS号：12033-89-5)通常如何合成？

Cetirizine EP Impurity B DiHCl(CAS号：1000690-91-4)通常如何合成？

如何储存1-哌啶-4-基丁-1-酮(CAS号：3509-15-7)？

如何处理含有VORUCICLIB(CAS号：1000023-04-0)的废料？

来源期刊

Physical Chemistry Chemical Physics

推荐化合物

4-(Chloromethyl)-2-phenyl-1,3-oxazole

4-Bromo-1H-benzimidazole-6-carbonitrile

5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine

2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile

Fmoc-Asp(Otbu)-Thr(Psime,Mepro)-OH

推荐供应商