检索结果-南通市图书馆

Vibrational Analysis of Oxygen Adsorption on Cs and CO Coadsorbate Precovered Ru(0001)Surface

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Physics Letters 1999年第6期16卷 428-430页

作者： HE Pei-mo Karl Jacobi Department of Physics Zhejiang UniversityHangzhou 310027 fritz-haber-institut der max-planck-gesellschaft Faradayweg 4-6D-14195 BerlinGermany

Vibrational analysis of oxygen adsorption on the Cs and CO coadsorbate precovered Ru(0001)surface was carried out by means of high-resolution electron energy loss *** submonolayer Cs coverages on Ru(0001)j an appropriate amount of CO adsorption leads to formation of(2x2)-Cs+2CO *** oxygen adsorption on this Cs and CO coadsorbate precovered surface results in a remarkable change of high-resolution electron energy loss *** loss peak of C-O stretch mode for 2x2 island species decreases in intensity,which is accompanied by appearance of new bands at about 87 and 240 *** results show that Cs adatoms and CO molecules are rearranged upon oxygen adsorption,and are correlated with coexistence of bare surface CO and a mixed phase of Cs,CO,and O.

关键词： spectroscopy. adsorption Adsorption

Quo vadis carbocatalysis?

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2021年第10期30卷 219-227,I0007页

作者： Robert Schlögl max-planck-institut für Chemische Energiekonversion Stiftstr.34-3645470 Mülheim an der RuhrGermany fritz-haber institut der max-planck-gesellschaft Faradayweg 4-614195 BerlinGermany

Prologue The rich scientific heritage of Dangsheng Su contains as substantial fraction his contributions to the field of catalysis with nanostructured carbon *** from microstructural analysis it became quickly clear that the richness of morphological and hence surface electronic variations in this class of materials should be suitable for the development of a science base for heterogeneous catalysis.

关键词： materials. catalysis. catalysis

Nanostructured Catalyst for Fischer-Tropsch Synthesis

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemistry 2018年第9期36卷 798-808页

作者： Wa Gao Qingshan Zhu Ding Ma College of Chemistry and Molecular Engineering and College of Engineering Peking University Beijing 100871 China fritz-haber-institut der max-planck-gesellschaft Faradayweg 4-6 D-14195 Berlin Germany

Fischer-Tropsch synthesis （FTS） is a heterogeneous catalytic process for the production of fuels or chemicals from synthesis gas （CO ＋ H2）, which can be derived from nonpetroleum feedstocks such as natural gas, coal, or biomass. Co, Ru, Fe and Ni are all active in FTS, but only cheaper Fe and Co based catalysts are used in industry because the price of Ru is relatively high. However, the industrial Fe- and Co-based FTS catalysts normally work at a relatively high temperature range of 493--623 K in order to get a reasonable space time yield. Moreover, the product selectivity of FTS is governed by the law of polymerization, i.e., a so-called Anderson-Schulz-FIory distribution holds, which restricts its industrial application. In this account, we highlight some of our progress toward the design/fabrication of nanostructured Fe, Co and Ru catalysts to improve FTS activity at the low temperature and to change the product selectivity and confine the product distribution into a certain range.

关键词： catalyst Fischer-Tropsch synthesis nanostructure

Parametrically constrained geometry relaxations for high-throughput materials science

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

npj Computational Materials 2019年第1期5卷 63-72页

作者： Maja-Olivia Lenz Thomas A.R.Purcell David Hicks Stefano Curtarolo Matthias Scheffler Christian Carbogno fritz-haber-institut der max-planck-gesellschaft Faradayweg 4–6D-14195 BerlinGermany Department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA

Reducing parameter spaces via exploiting symmetries has greatly accelerated and increased the quality of electronic-structure ***,many of the traditional methods fail when the global crystal symmetry is broken,even when the distortion is only a slight perturbation(e.g.,Jahn-Teller like distortions).Here we introduce a flexible and generalizable parametric relaxation scheme and implement it in the all-electron code *** approach utilizes parametric constraints to maintain symmetry at any *** demonstrating the method’s ability to relax metastable structures,we highlight its adaptability and performance over a test set of 359 materials,across 13 lattice *** we show how these constraints can reduce the number of steps needed to relax local lattice distortions by an order of *** flexibility of these constraints enables a significant acceleration of high-throughput searches for novel materials for numerous applications.

关键词： relaxation constraints distortion

High-Resolution Electron Energy Loss Spectroscopy of Cs Vibration on the Ru (0001) Surface

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Physics Letters 1998年第12期15卷 907-909页

作者： HE Pei-mo Karl Jacobi Department of Physics Zhejiang UniversityHangzhou 310027 Fiitz-haber-institut der max-planck-gesellschaft Faradayweg 4-6D-14195 BerlinGermany

By using a newly implemented high-resolution electron energy loss spectrometer with better resolution,a new loss at a energy near to double energy of the Cs-Ru stretching vibration,and its dependence on Cs coverage for Cs overlayer on Ru(0001)were *** the energy is slightly smaller than the double energy of the Cs-Ru vibration(intrinsic loss),overtone excitation must be responsible for this new loss observed,but two-phonon process is not excluded.

关键词： stretching Electron slightly

Control of electron localization in the dissociation of H_(2)^(+)and its isotopes with a THz pulse

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Physics B 2015年第1期24卷 226-231页

作者：贾正茂曾志男李儒新徐至展邓蕴沛 State Key Laboratory of High Field Laser Physics Shanghai Institute of Optics and Fine MechanicsChinese Academy of Sciences fritz-haber-institut der max-planck-gesellschaft Faradayweg 4-614195 BerlinGermany

The molecular dissociation with a two-laser-pulse scheme is theoretically investigated for the hydrogen molecular ion（H2^＋） and its isotopes（HD^＋and HT^＋）. The terahertz pulse is used to steer the electron motion after it has been excited by an ultrashort ultraviolet laser pulse and an unprecedented electron localization ratio can be achieved. With the coupled equations, the mass effect of the nuclei on the effective time of the electron localization control is discussed.

关键词： dissociation probability hydrogen molecular ion terahertz pulse time-dependent Schrdinger equation

Dynamic carbon surface chemistry: Revealing the role of carbon in electrolytic water oxidation

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2020年第8期29卷 155-159,I0006页

作者： Yuxiao Ding Qingqing Gu Alexander Klyushin Xing Huang Sakeb H.Choudhury Ioannis Spanos Feihong Song Rik Mom Pascal Dungen Anna K.Mechler Robert Schlogl Saskia Heumann max planck institute for Chemical Energy Conversion Stiftstrasse 34-36Mtilheim an der Ruhr 45470Germany fritz-haber-institut der max-planck gesellschaft Faradayweg 4-6Berlin 14195Germany Research Group Catalysis for Energy Helmholtz-Zentrum Berlin fur Materialien und Energie GmbHAlbert-Einstein-Strasse 1512489 BerlinGermany

Carbon materials have been widely used as electrodes, but the mechanistic roles are still not clear due to the complexity of the carbon surface chemistry. Herein we clarify that intrinsic material properties of carbon have to be activated by extrinsic factors. Pure carbon has no catalytic activity when used as electrode for electrocatalytic water oxidation. The evolution of oxygen functional groups on the carbon surface with increasing potential and the subsequent formation of real active sites with iron impurities from the electrolyte have been confirmed. These in-situ formed active sites protect the carbon from deep oxidation. This unprecedented finding not only provides insight into the dynamic evolution of carbon electrode surface chemistry and raises awareness of the need for detailed surface analysis under operando conditions, but also suggests a direction for the development of scalable and high-performance carbonbased electrode systems for various electrochemical applications.

关键词： Carbon chemistry Carbon catalysis Carbon electrode Water splitting Iron impurity

Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

npj Computational Materials 2023年第1期9卷 1204-1215页

作者： Thomas A.R.Purcel Matthias Scheffler Luca M.Ghiringhelli Christian Carbogno The NOMAD Laboratory at fritz-haber-institut der max-planck-gesellschaft and IRIS-Adlershof of the Humboldt-Universität zu Berlin Faradayweg 4-6D-14195 BerlinGermany Physics Department and IRIS Adlershof Humboldt Universität zu Berlin BerlinGermany

Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications,including superconductivity,catalysis,and *** in this field are often hindered by the scarcity and quality of available data and the significant effort required to acquire new *** such applications,reliable surrogate models that help guide materials space exploration using easily accessible materials properties are urgently ***,we present a general,data-driven framework that provides quantitative predictions as well as qualitative rules for steering data creation for all datasets via a combination of symbolic regression and sensitivity *** demonstrate the power of the framework by generating an accurate analytic model for the lattice thermal conductivity using only 75 experimentally measured *** extracting the most influential material properties from this model,we are then able to hierarchically screen 732 materials and find 80 ultra-insulating materials.

关键词： artificial thermal properties

Shedding IR light on gas-phase metal clusters:insights into structures and reactions

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Shedding IR light on gas-phase metal clusters:insights into ...