Tailoring surface oxygen vacancy to design solid frustrated Lewis pair catalysts for hydrogenation r

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

【摘要】

：

　　The frustrated Lewis pairs(FLPs),a kind of novel metal-free catalysts for activating a broad range of small molecules[1-4],are limited in homogeneous molecu

【作者】

：

黄正清常春然

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

【关键词】

：

Lewis design oxygen vacancy study

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

　　The frustrated Lewis pairs(FLPs),a kind of novel metal-free catalysts for activating a broad range of small molecules[1-4],are limited in homogeneous molecular-based chemistry and catalysis due to the catalysts recycling problems.

其他文献

The combination of superhalogens and Br(o)nsted acid:A Novel and effective strategy for designing su

　　We designed a series of 27 complexes consisting of superhalogens(MgnCl2n+1)and Br(o)nsted acid(HX,X=F,Cl,Br),which were systemically investigated via high-l

会议

Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batter

　　The potential of 23 superhalogen anions of halogen-free structures as high-performance electrolyte of Li-ion batteries is theoretically explored here.Accord

会议

The parameters of Intermolecular electrostatic potential in AMOEBA force field

　　The intermolecular interaction determines the rate of electron transfer in Organic semiconducting materials,and the calculation of intermolecular interactio

会议

How to control the binding energy of the charge-transfer states at the acene/C60 interfaces:a view f

　　The binding energy of charge-transfer(CT)state at the pi-conjugated donor-acceptor(DA)interaction plays a key role in controlling the efficient of exciton d

会议

The performance of density functional theory(DFT)on intermolecular interaction of nitrogen heterocyc

　　One area of particular importance research in many areas of chemistry and biology science is the study of intermolecular non-covalent interactions.Density f

会议

Is the strategy of stabilizing noble gas hydrides via superhalogen moieties probable? A theoretical

会议

Site inhomogeneous electronic polarizations of charge carries at pentacene crystal plane--A polariza

　　Ultraviolet Photoelectron Spectroscopy(UPS)is widely used experimental tools to determine the electronic polarization of organic solids by measuring the dif

会议

Activation of C-H bond in propane by Pd(Ⅱ)-catalysts bearing ligands with charge-shift bonding chara

　　Using density functional theory(DFT),we have investigated the conversion of propane to propyl trifluoroacetate catalyzed by five kinds of(bis-2BB)PdBr2 comp

会议

Theoretical Study on the Effects of Co-doping in Ni2P Catalysts for Hydrogen Evolution Reaction

　　Nickel phosphides(Ni2P)have emerged as the high-efficient,stable and earth-abundant electrocatalysts for hydrogen evolution reaction(HER).1-4 Recently,metal

会议

Evaluation of Electronic Polarization energy in Oligoacene Molecular Crystals Using solvated supermo

　　The solvated supermolecular approach,i.e.,block-localized wavefunction coupled with polarizable continuum model(BLW/PCM),is proposed to calculate molecular

会议

Tailoring surface oxygen vacancy to design solid frustrated Lewis pair catalysts for hydrogenation r

其他学术论文