A sublattice-model isotherm for the competitive coadsorption of hydrogen and bromide on a Pt(100)electrode
文献信息
M. T. M Koper
Previous work demonstrated that the Frumkin isotherm is inadequate to model the competitive coadsorption of species with different saturation coverages, such as hydrogen and bromide coadsorption on Pt(100) [N. Garcia-Araez et al., J. Electroanal. Chem., 2006, 588, 1]. Therefore, Monte Carlo simulations were necessary to determine meaningful values of the microscopic parameters (namely, energies of adsorption and interaction). In the present work, an alternative analytical isotherm is developed, by taking into account the occupation of two sublattices, which together compose the whole lattice of adsorption sites. Despite its relatively simple mathematical form, this isotherm presents, under certain conditions, a significant improvement over the classical Frumkin isotherm for the modeling of competitive adsorption processes, thus providing a closer agreement with results from Monte Carlo simulations. Finally, it is demonstrated that the sublattice-model isotherm will be generally applicable to systems in which the formation of segregated adlayers, whose structure is not explicitly taken into account in the model, is energetically unfavorable.
相关文献
A Grand Canonical Monte Carlo study of argon adsorption/condensation in mesoporous silica glasses
Roland J.-M. Pellenq, Bernard Rousseau, Pierre E. Levitz
DOI: 10.1039/B008961N
Ultrafast proton transfer in the S1 state of 1-chloroacetylaminoanthraquinone
Frederik V. R. Neuwahl, Laura Bussotti, Roberto Righini, Guy Buntinx
DOI: 10.1039/B007312L
Shining a new light on the structure of polyurea/polyurethane materials
Piangtawan Phoungtawee, Daniel Crespy
DOI: 10.1039/D1PY00649E
Investigation of partial oxidation of copper deposited on pyrolytic boron nitride
DOI: 10.1039/A903548F
Theoretical study of the electronic structure of XCCP molecules (X = H, F, Cl, Br, I): carbenes. phosphinidene
Tamás Veszprémi, Minh Tho Nguyen
DOI: 10.1039/B008395J
On the molecular and vibrational structure of 1,6,6aλ 4-trithiapentalenes. Analysis of the “ bell-clapper” asymmetrical S–S–S stretching mode
Jens Spanget-Larsen, Kristine B. Andersen
DOI: 10.1039/B009728O
您可能还喜欢
如何储存1,2-环己二酮环乙缩醛(CAS号:4746-96-7)?
1,2-环己二酮环乙缩醛应储存在阴凉、干燥、通风良好的地方,避免阳光直射。建议使用密封容器保存,并保持环境温度在室温范围内,远离火源和热源。
Ecopladib(CAS号:381683-92-7)的市场或研究趋势如何?
Ecopladib作为一种新型的药物,主要应用于治疗高胆固醇等疾病。目前,市场和研究趋势显示,Ecopladib因其独特的药理作用而受到关注。随着对心血管疾病治...
2,3-Dimethyl-3H-imidazo[4,5-c]pyridine(CAS号:52538-09-7)通常如何合成?
2,3-二甲基-3H-咪唑[4,5-c]吡啶通常通过咪唑和2,3-二甲基吡啶的缩合反应合成。具体来说,将咪唑和2,3-二甲基吡啶在适当的溶剂中进行加热或加压反应...
2,3,4,5-tetrahydro-1H-3-苯并氮杂环;盐酸盐(CAS号:17379-01-0)的市场或研究趋势如何?
该化合物在药物化学和有机合成中有一定的应用。近年来,随着对新型药物化合物的需求增加,该化合物的研究趋势主要集中在探索其生物活性,尤其是其在神经系统疾病治疗中的潜...
如何储存盐酸甘氨酸丁酯(CAS号:13048-99-2)?
盐酸甘氨酸丁酯应储存在阴凉、干燥、通风良好的地方,避免阳光直射和高温环境,温度应控制在25℃以下。储存容器应密封,避免与空气中的水分和酸性物质接触,以防发生水解...
什么是2-Iodo-N,N-dimethylbenzamide(CAS号:54616-46-5)?
2-碘-N,N-二甲基苯胺是一种有机化合物,化学名为2-Iodo-N,N-dimethylbenzamide。其分子式为C<sub>9</sub>H<sub>1...
5-溴-2-(4H-1,2,4-三唑-4-基)吡啶(CAS号:959240-99-4)的市场或研究趋势如何?
随着医药、农药和新材料领域的发展,该化合物作为关键中间体的应用日益增多。特别是在药物合成中,由于其独特的化学性质,可以用于合成多种药物分子。未来的研究趋势可能集...
2,4-二溴-6-三氟甲基嘧啶(CAS号:785778-00-9)通常如何合成?
2,4-二溴-6-三氟甲基嘧啶通常通过溴化反应合成。首先,将6-三氟甲基嘧啶与溴化剂(如液溴)在适当的溶剂(如二氯甲烷、四氢呋喃)中反应,加入适当的催化剂(如四...
来源期刊
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.














