2. 您的位置
3. 首页
4. 会议论文
5. Cu-Ni core-shell nanoparticles:structure,stability,electronic and magnetic properties:a spin-polariz

Cu-Ni core-shell nanoparticles:structure,stability,electronic and magnetic properties:a spin-polariz

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：itlixw

【摘 要】

：

Bimetallic core-shell nanoparticles(CSNPs)have attracted great interest not only because of their superior stability,selectivity,and catalytic activity,but also due to their tunable properties achieve

【作 者】

：

Qiang Wang xianfei Lu Yanhui Yang 

【机 构】

：

School of Chemistry and Molecular Engineering,Institute of Advanced Synthesis(IAS),Nanjing Tech Univ

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

Cu-Nicore-shell nanoparticle stability charge transfer electronic and magnetic p 

下载到本地 , 更方便阅读

下载此文 赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

　　Bimetallic core-shell nanoparticles(CSNPs)have attracted great interest not only because of their superior stability,selectivity,and catalytic activity,but also due to their tunable properties achieved by changing the morphology,sequence,and sizes of both core and shell.

其他文献

Persistent Room Temperature Phosphorescence from Pure Organic Luminogens Induced by the Dopant Chlor

Organic molecules with persistent room temperature phosphorescence(RTP)have attracted growing attention due to the long lifetime and inefficiency light emission.By combining molecular dynamics(MD)simu

会议

Organic cocrystalPersistent room temperature phosphorescenceMDQM/MMnon-radia

Theoretical Studies on Photocycloaddition Reactions of Oxazolines:Mechanism and Enantioselective Sel

Oxazolines are found to exhibit enantioselective [4+2] and [4+4] photocycloaddition reactions in synthesizing polyheterocyclic ketones; but,the atomistic reaction mechanism remains unclear.

会议

EnantioselectiveESIPTPhotocycloaddition

Pentavalent Lanthanide Nitride-Oxides:NPrO and NPrO-

The chemistry of lanthanides is dominated by the low-valent+Ⅲ or+Ⅱ oxidation states due to the chemical inertness of the 4f valence electrons.Until recently the highest known oxidation state of the wh

会议

pentavalent lanthanideoxidation state+Vlanthanideelectronic structureCASPT2

从头算双电子积分计算的异构优化研究

Hartree-Fock 自洽场(HF-SCF)方法是从头算量子化学的核心方法，其中双电子积分求解为HF-SCF 计算的决速步骤。

会议

双电子积分向量化异构计算协处理器

Tuning the color of firefly bioluminescence:a theoretical study on luciferin and luciferase modifica

Firefly bioluminescence has various applications,such as biological analysis.To enhance the detection sensitivity and extend the application scope,a wide range of bioluminescence color is required.Bot

会议

modificationluciferinluciferasebioluminescence

The Proton-Coupled Electron Transfer Reaction of Lumiflavin with Oxygen:Revealing the Oxygenation Me

Flavoproteins are kinds of proteins containing flavins as a prosthetic group,which play vital roles in a wide array of biological pr ocesses.Flavoproteins can be divided into oxidases and monooxygenas

会议

OxygenationFlavinBacterial bioluminescence

New Insights into the Activation of Lingulodinium Polyedrum Luciferase Revealed by Molecular Dynamic

Lingulodinium Polyedrum is a marine bioluminescent dinoflagellate specie.Luciferase(LCF)regulates its bioluminescence via catalyzing the oxidation of luciferin(LH2),an open tetrapyrrole derivative sub

会议

Dinoflagellate luciferasemolecular dynamics simulations

Computational Insights into the Mechanism for Single Electron Transfer in Visible-Light Photoredox C

Photoredox catalysis relies on excited-state single-electron transfer(SET)processes to drive unique photochemical reactions.In this work accurate electronic structure calculations at the CASPT2//CASSC

会议

Photoredox catalysissingle-electron transferMarcus electron transfer theoryCA

Mechanistic Insights into Light-Driven Hydrogen Evolution Reaction from Formic Acid by an Iridium Ph

A novel light-triggered hydrogen evolution from formic acid mediated by a Ir(Ⅲ) photocatalyst has been experimentally reported recently.However,its reaction mechanism remains elusive.Herein we have em

会议

The Excited-State Decay Mechanism of Thio-Substituted Nucleobases in the Gas Phase,Microsolvated Sur

The photophysics of thio-substituted nucleobases has been extensively studied computationally in the past years due to their significant potential as photosensitizers in photodynamic therapy.[1-3] How

会议

Photodynamic TherapyPhotophysical MechanismThio-Substituted Nucleobases