Theoretical Investigation on Excitation, Ionization and Capture in H（1s, 2s） ＋ H（1s, 2s） Collisions

Cross sections of electron-loss in H（1s）＋ H（1s） collisions and total collisional destruction of H（2s） in H（1s） 4- H（2s） collisions are calculatted by four-body classical-trajectory Monte Caylo （CTMC） method and compared with previous theoretical and experimental data over the energy range of 4-100 keV. For the former a good agreement is obtained within different four-body CTMC calculations, and for the incident energy Ep 〉 10 keV, comparison with the experimental data shows a better agreement than the results calculated by the impact parameter approx- imation. For the latter, our theory predicts the correct experimental behaviour, and the discrepancies between our results and experimental ones are less than 30%. Based on the successive comparison with experiments, the cross sections for excitation to H（2p）, single- and double-ionization and H- formation in H（2s）＋H（2s） collisions are calculated in the energy range of 4-100 keV for the first time, and compared with those in H（1s）＋H（1s） and H（1s）＋U（2s） collisions.

The multielectron dissociative ionization dynamics of N2 molecule in intense femtosecond laser fields with arbitrary polarization

The field-ionization Coulomb explosion model is extended to investigate the multielectron dissociative ionization process of N2 molecule irradiated by an intense femtosecond laser field with an arbitrary polarization. The ionization process of N2 molecule is found to be optimal at the critical internuclear distance Rc=7a.u., which is independent of the laser polarization state, the molecular explosion channel and the angle between the molecular axis and the direction of laser electric field. The kinetic energies of the ion fragments are identical in the cases of linear and circular polarizations at the same incident laser intensity. However, the probability of electron ionization is very sensitive to the above three parameters. At the critical distance Rc=7a.u. the angular dependence of the threshold intensity for the over-the-barrier ionization leads to the geometric alignment of molecules in the case of linear polarization. The threshold intensity in the case of circular polarization is apparently higher than that in the case of linear polarization, which can well explain the significant decrease of ionization in the case of circular polarization. The numerical calculations are compared with the experimental measurements.

Monoclinic Cu_(3)(OH)_(2)V_(2)O_(7)·2H_(2)O nanobelts/reduced graphene oxide:A novel high-capacity and long-life composite for potassium-ion battery anodes

Developing suitable anode materials for potassium-ion batteries(PIBs)remains a great challenge owing to the limited theoretical capacity of active materials and large radius of K+ion(1.38?).To solve these obstacles,by integrating the principles of multielectron transfer and rational porous crystal framework,we creatively propose the monoclinic Cu_(3)(OH)_(2)V_(2)O_(7)·2H_(2)O(CVO)as a novel anode for PIBs.Furthermore,inspired by the metastable nature of CVO under high temperature/pressure,we skillfully design a facile hydrothermal recrystallization strategy without the phase change and surfactants addition.Thus,for the first time,the porous composite of Cu_(3)(OH)_(2)V_(2)O_(7)·2H_(2)O nanobelts covered in situ by reduced graphene oxide(CVO NBs/r GO)was assembled,greatly improving the deficiencies of CVO.When used as a novel anode for PIBs,CVO NBs/r GO delivers large specific capacity(up to 551.4 m Ah g^(-1)at 50 m A g^(-1)),high-rate capability(215.3 m Ah g^(-1)at 2.5 A g^(-1))and super durability(203.6 m Ah g^(-1)at 500 m A g^(-1)even after 1000 cycles).The outstanding performance can be ascribed to the synergistic merits of desirable structural features of monoclinic CVO nanobelts and the highly conductive graphene 3D network,thus promoting the composite material stability and electrical/ionic conductivity.This work reveals a novel metal vanadate-based anode material for PIBs,would further motivate the subsequent batteries research on M_(3)(OH)_(2)V_(2)O_(7)-n H_(2)O(M;Co,Ni,Cu,Zn),and ultimately expands valuable fundamental understanding on designing other high-performance electrode materials,including the combined strategies of multielectron transfer with rational porous crystal framework,and the composite fabrication of 1D electrode nanostructure with conductive carbon matrix.

Boosting Plasmonic Hot Electron Utilization for Visible-Light Photocatalysis Using Polarized Ag-TiO_(2) Nanoparticles

Plasmonic hot electrons have long been regarded as a promising energy source for inducing chemical transformations.However,because of the mismatch between the electron cloud of reactant molecules and the hot-electron gas of metal nanoparticles(NPs),the highly localized and short-lived hot electrons are dif-ficult to utilize in bulk synthesis when the reactant molecules do not have a strong affinity for the metal surface.Here,we propose the concept of polarized nanocatalysts to mimic chemical polarity at the nanometer scale.Under plasmonic photorecycling conditions,the rationally designed asymmetric Ag-TiO_(2) hybrid NPs enable six-electron reduction of molecules in bulk solution.This hot-electron-driven reaction does not require a conventional hydrogen or hydride reducing agent.As a proof-of-concept,one-pot photocatalytic syntheses of amides,such as paracetamol,using nitro reactants were performed.This provides a new opportunity to enable challenging multielectron transformations in organic chemistry.

Recent development of nanomaterials for carbon dioxide electroreduction

Electrochemical CO_(2) reduction reaction(CO_(2)RR)to produce value‐added products has received tremendous research attention in recent years.With research efforts across the globe,remarkable advancement has been achieved,including the improvement of selectivity for the reduction products,the realization of efficient reduction beyond two electrons,and the delivery of industrially relevant current densities.In this review,we introduce the recent development of nanomaterials for CO_(2)RR,including the zero‐dimensional graphene quantum dots,two‐dimensional materials such as metal chalcogenides and metal/covalent organic framework,singleatom catalysts,and nanostructured metal catalysts.The engineering of materials into three‐dimensional structure will also be discussed.Finally,we will provide a summary of the catalytic performance and perspectives on future development.

Polysulfide Electrocatalysis on Framework Porphyrin in High-Capacity and High-Stable Lithium–Sulfur Batteries

Lithium–sulfur batteries with an ultrahigh theoretical energy density of 2600 Wh kg^(−1) are highly consid-ered as desirable next-generation energy storage devices that will meet the growing demand of energy consumption worldwide.However,complicated sul-fur redox reactions and polysulfide shuttling signifi-cantly postpone the applications of lithium-sulfur batteries with rapid capacity decay and low Coulom-bic efficiency.

Conjugated ladder-type polymers with multielectron reactions as high-capacity organic anode materials for lithium-ion batteries

Ladder-type conjugated polymers(LCPs)have attracted extensive attention in rechargeable lithium-ion batteries(LIBs)due to their inherent stability,poor solubility,tunable structure,and strongπ-πintermolecular interactions.Herein,we describe the synthesis of two heteroatom nitrogen/oxygen-rich LCPs(TABQ-NTCDA,named TNL,and TABQPMDA,named TPL)by the polycondensation reaction of tetromino-benzoquinone(TABQ)and aromatic dianhydride.Benefiting from the rigid backbone,the large conjugated skeleton and the heteroatom-driven superlithiation process in polycyclic aromatic systems,heteroatom nitrogen/oxygen-rich LCPs acting as organic anode materials for LIBs display high specific capacity and long-term cycle stability.In particular,TNL displays a high reversible capacity of 1063.5 mA h g^(-1) at 0.05 A g^(-1),good cyclic performance with a capacity retention of 75.2% after 1000 cycles at 1 A g^(-1),and excellent rate capability of 260.6 mA h g^(-1) even at 2 A g^(-1).In addition,the superlithiation storage mechanism was further confirmed by theoretical calculations,suggesting multiple active sites of C=O,C=N,and aromatic rings for lithium-ion storage.Furthermore,a full cell is also assembled by pairing a TNL anode with a LiCoO_(2) cathode,indicating the feasibility of practical application.