位置：成果数据库 > 期刊 > 期刊详情页
First principles study on the interfacial properties of NM/graphdiyne (NM = Pd, Pt, Rh and Ir): The
  • ISSN号：0169-4332
  • 期刊名称：Applied Surface Science
  • 时间：2016.1.1
  • 页码：1-7
  • 相关项目：固体氧化物燃料电池阳极材料积碳和硫中毒机理与改性的理论研究
作者： Peng Lv|Chaozheng He|Dongwei Ma|Zongxian Yang|
同期刊论文项目
固体氧化物燃料电池阳极材料积碳和硫中毒机理与改性的理论研究
期刊论文 82 会议论文 18
同项目期刊论文
The mechanisms of oxygen reduction reaction on phosphorus doped graphene: a first-principles study.
The Formation and Properties of Pt-4 Clusters on the Defective Graphene Support
Tuning Synthesis of Highly Active Nitrogen-doped Graphite and Determining the Optimal Structure from
Can H2S poison the surface of yttria-stabilized zirconia?
The mechanism of sulfur poisoning on the nickel/yttrium-stabilized zirconia anode of solid oxide fue
Pt/Ce_4O_8团簇催化活性的第一性原理研究
Pt-Ni合金团簇的结构与磁性的第一性原理研究
Formation and catalytic activity of Pt supported on oxidized graphene for the CO oxidation reaction
Tuning the catalytic activity of Ag–Pd alloy cluster for hydrogen dissociation by controlling the Pd
Pd 1/BN as a promising single atom catalyst of CO oxidation: a dispersion-correcteddensity functiona
Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation
Highly efficient Pd-based core-shell nanowire catalysts for O-2 dissociation
Importance of oxygen spillover for fuel oxidation on Ni/YSZ anodes in solid oxide fuel cells
First-principles study on the mechanism of coking inhibition by the Ni(111) surface doped with IB-gr
Growth mechanism and controllable synthesis of graphene on Cu–Ni alloy surface in the initial growt
Effects of substrate defects on the carbon cluster formation in graphene growth on Ni (111) surface
Density functional theory study on the interaction of CO with the Fe3O4(0 0 1) sur
Adsorption and oxidation of sulfur dioxide on the yttria-stabilized zirconia surface: ab initio atom
O_2在Si掺杂石墨烯上吸附与活化
First principle sstudy of the magnetism driven by cation defects in CeO_2: the important role of O2p
Coadsorption of gold with chlorine on CeO_2(111) surfaces: A first principles study
Sulfidation of ceria surfaces from sulfur and sulfur diffusion
S在Pt皮肤Pt_3Ni(111)面吸附的第一性原理研究
Cu/CeO_2(110)界面特性的第一性原理研究
Effect of lattice strain on the oxygen vacancy formation and hydrogen adsorption at CeO2(111) surfac
Direct CO oxidation by lattice oxygen on the SnO2(110) surface: a DFT study
The sensing mechanism of Pt-doped SnO2 surface toward CO: A first-principle study
Cu在Zr掺杂CeO_2(111)表面吸附特性的第一性原理研究
Resistance to sulfur poisoning of Ni-based alloy with coinage (IB) metals
The sulfur poisoning of the nickel/oxygen-enriched yttria-stabilized zirconia
The origin of the low efficiency of carbon removal from the Nickel/Yttrium–Stabilized Zirconia tripl
Novel catalytic activity for oxygen reduction reaction on MnN4 embedded graphene: A dispersion-corre
Interactions of small platinum clusters with the TiC (001) surface
Single Pt atom stabilized on nitrogen doped graphene: CO oxidationreadily occurs via the tri-molecul
A density function theory study on the NO reduction on nitrogen doped graphene
Depletion NO (x) Made Easy by Nitrogen Doped Graphene
Several different charge transfer and Ce 3+ localization scenarios for Rh–CeO 2 (111)
The sulfur tolerance mechanism of the Cu/CeO2 system
Density functional theory study on the interaction of CO with the Fe 3 O 4 (001) surface
Resistance to sulfur poisoning of the gold doped nickel/yttria-stabilized zirconia with interface ox
Tuning the Performance of Ni-Based Catalyst by Doping Coinage Metal on Steam Reforming of Methane an
The carbon-tolerance mechanism of Ni-based alloy with coinage metals
The highly active Ce4O8 nanoparticle for CO oxidation
Noble metals induced magnetic properties of graphene
Preventing the CO poisoning on Pt nanocatalyst using appropriate substrate: A first-principles study
Trapping of metal atoms in the defects on graphene
A theoretical simulation on the catalytic oxidation of CO on Pt/graphene
First-principles study on the Ni@Pt12 Ih core–shell nanoparticles: A good catalyst for oxy
High Stability and Reactivity of Pt-Based Core−Shell Nanoparticles for Oxygen Reduction Re
Unusual Stability and Activity of DI-Pd19 Clusters for O2 Dissociation
Origin of the High Activity of the Ceria-Supported Copper Catalyst for H2O Dissociation
Adsorption and dissociation of ammonia on small iron clusters
First-Principles Study on the Initial Oxidization of a Nb(100) Surface
Understanding on the carbon deposition on the Nickel/Yttrium–Stabilized Zirconia anode caused by the
Ab initio atomistic thermodynamics study on the sulfur tolerance mechanism of the oxygen-enriched yt
Formation, Stabilities, and Electronic and Catalytic Performance of Platinum Catalyst Supported on N
第一性原理研究由金属镍和钇稳定的氧化锆所形成的三相边界微观结构
Pt—Ni合金团簇的结构与磁性的第一性原理研究
Ni与钇稳定的氧化锆（111）表面相互作用以及界面活性的第一性原理研究
Cu/CeO2（110）界面特性的第一性原理研究
Coadsorption of gold with chlorine on CeO2（111） surfaces：A first principles study
First principles study of the magnetism driven by cation defects in CeO2： the important role of O2p states