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| 1 | Ammonium removal pathways and microbial community in GAC-sand dual media filter in drinking water treatment显示文摘A GAC-sand dual media filter(GSF) was devised as an alternative solution for drinking water treatment plant to tackle the raw water polluted by ammonium in place of expensive ozone-GAC processes or bio-pretreatments.The ammonium removal pathways and microbial community in the GSFs were investigated.The concentrations of ammonium,nitrite and nitrate nitrogen were monitored along the filter.Total inorganic nitrogen(TIN) loss occurred during the filtration.For 1 mg ammonium removal,the TIN loss was as high as 0.35 mg,DO consumption was 3.06 mg,and alkalinity consumption was 5.55 mg.It was assumed that both nitrification and denitrification processes occur in the filters to fit the TIN loss and low DO consumption.During the filtration,nitritation,nitrification and nitritation-anaerobic ammonium oxidation processes probably occur,while traditional nitrification and denitrification and simultaneous nitrification and denitrification processes may occur.In the GSFs,Nitrosomonas and Nitrospira are likely to be involved in nitrification processes,while Novosphingobium,Comamonadaceae and Oxalobacteraceae may be involved in denitrification processes. | Shuo Feng Shuguang Xie Xiaojian Zhang Zhiyu Yang Wei Ding Xiaobin Liao Yuanyuan Liu Chao Chen | 2012 | Journal of Environmental Sciences2012，24，9： | 14 |
| 2 | Toluene decomposition performance and NOx by-product formation during a DBD-catalyst process显示文摘Characteristics of toluene decomposition and formation of nitrogen oxide(NOx) by-products were investigated in a dielectric barrier discharge(DBD) reactor with/without catalyst at room temperature and atmospheric pressure. Four kinds of metal oxides, i.e., manganese oxide(Mn Ox), iron oxide(Fe Ox), cobalt oxide(Co Ox) and copper oxide(Cu O), supported on Al2O3/nickel foam, were used as catalysts. It was found that introducing catalysts could improve toluene removal efficiency, promote decomposition of by-product ozone and enhance CO2 selectivity. In addition, NOx was suppressed with the decrease of specific energy density(SED) and the increase of humidity, gas flow rate and toluene concentration, or catalyst introduction. Among the four kinds of catalysts, the Cu O catalyst showed the best performance in NOx suppression. The Mn Ox catalyst exhibited the lowest concentration of O3 and highest CO2 selectivity but the highest concentration of NOx. A possible pathway for NOx production in DBD was discussed. The contributions of oxygen active species and hydroxyl radicals are dominant in NOx suppression. | Yufang Guo Xiaobin Liao Mingli Fu Haibao Huang Daiqi Ye | 2015 | Journal of Environmental Sciences2015，27，2： | 7 |
| 3 | Detection of hydroxyl radical in plasma reaction on toluene removal显示文摘A new method was introduced to detect the concentration of OH radical in dielectric barrier discharge(DBD)reaction.A film, which was impregnated with salicylic acid,was used to detect OH radical in plasma reaction at room temperature and atmospheric pressure.Salicylic acid reacts with OH radical and produces 2,5-dihydroxybenzoic acid(2,5-DHBA).Then,a high performance liquid chromatography(HPLC)was carried out to detect the concentration of 2,5-DHBA.Therefore,OH radical in nonthermal plasma reaction could be calculated.In this plasma reaction,the applied voltage was controlled at 10 kV,the initial concentration of toluene was 400 mg/m3,and the gas flow rate was 300 ml/min.It was observed that when the film was placed away from the plasma area,2,5-DHBA could not be detected by HPLC,although the sampling time lasted for 48 h.On the other hand,when the film was placed in the plasma area and the sampling time being too long(>4 h),the concentration of 2,5-DHBA was also below detection limit,and it could not be detected by HPLC.However,when the film was placed in the plasma reaction field with the sampling time being 3 h,the concentration of OH radical was calculated to be 10.54×1012 cm-3.In addition,concentration of OH radical was investigated under different humidity,such as 0.2%,0.4%,0.6%,0.8%,and 1.0%.The results showed that the amount of OH radical stayed at order of magnitude of 1012 cm-3 and increased with the increase of humidity. | Guo Yufang Liao Xiaobin Ye Daiqi | 2008 | Journal of Environmental Sciences2008，20，12： | 5 |
| 4 | Density Functional Theory for Electrocatalysis显示文摘It is a considerably promising strategy to produce fuels and high-value chemicals through an electrochemical conversion process in the green and sustainable energy systems.Catalysts for electrocatalytic reactions,including hydrogen evolution reaction(HER),oxygen evolution reaction(OER),oxygen reduction reaction(ORR),nitrogen reduction reaction(NRR),carbon dioxide reduction reaction(CO_(2)RR),play a significant role in the advanced energy conversion technologies,such as water splitting devices,fuel cells,and rechargeable metal-air batteries.Developing low-cost and highly efficient electrocatalysts is closely related to establishing the composition-structure-activity relationships and fundamental understanding of catalytic mechanisms.Density functional theory(DFT)is emerging as an important computational tool that can provide insights into the relationship between the electrochemical performances and physical/chemical properties of catalysts.This article presents a review on the progress of the DFT,and the computational simulations,within the framework of DFT,for the electrocatalytic processes,as well as the computational designs and virtual screenings of new electrocatalysts.Some useful descriptors and analysis tools for evaluating the electrocatalytic performances are highlighted,including formation energies,d-band model,scaling relation,egorbital occupation,and free energies of adsorption.Furthermore,the remaining questions and perspectives for the development of DFT for electrocatalysis are also proposed. | Xiaobin Liao Ruihu Lu Lixue Xia Qian Liu Huan Wang Kristin Zhao Zhaoyang Wang Yan Zhao | 2022 | Energy & Environmental Materials2022，5，1： | 2 |
| 5 | MoS2/MnO2 heterostructured nanodevices for electro- chemical energy storage显示文摘 | Xiaobin Liao Yunlong Zhao Junhui Wang Wei Yang Lin Xu Xiaocong Tian Yi Shuang Kwadwo Asare Owusu Mengyu Yan Liqiang Mai | 2018 | Nano Research2018，11，4： | 2 |
| 6 | Electric field and photoelectrical effect bi-enhanced hydrogen evolution reaction显示文摘 | Mengyu Yan Xunbiao Zhou Xuelei Pan dunhui Wang Lixue Xia Kesong Yu Xiaobin Liao Xu Xu Liang He Liqiang Mai | 2018 | Nano Research2018，11，6： | 2 |
| 7 | Oxygen defects boost polysulfides immobilization and catalytic conversion:First-principles computational characterization and experimental design显示文摘Although some experiments have shown that point defects in a cathode host material may enhance its performance for lithium-sulfur battery(LSB),the enhancement mechanism needs to be well investigated for the design of desired sulfur host.Herein,the first principle density functional theory(DFT)is adopted to investigate a high-performance sulfur host material based on oxygen-defective TiO2(D-TiO2).The adsorption energy comparisons and Gibbs free energy analyses verify that D-TiO2 has relatively better performances than defect-free TiO2 in terms of anchoring effect and catalytic conversion of polysulfides.Meanwhile,D-TiO2 is capable of absorbing the most soluble and diffusive long-chain polysulfides.The newly designed D-TiO2 composited with three-dimensional graphene aerogel(D-TiO2@Gr)has been shown to be an excellent sulfur host,maintaining a specific discharge capacity of 1,049.3 mAhg^−1 after 100 cycles at 1C with a sulfur loading of 3.2 mgcm^−2.Even with the sulfur mass loading increasing to 13.7 mgcm^−2,an impressive stable cycling is obtained with an initial areal capacity of 14.6 mAhcm^−2,confirming the effective enhancement of electrochemical performance by the oxygen defects.The DFT calculations shed lights on the enhancement mechanism of the oxygen defects and provide some guidance for designing advanced sulfur host materials. | Qiu He Bin Yu Huan Wang Masud Rana Xiaobin Liao Yan Zhao | 2020 | Nano Research2020，13，8： | 2 |
| 8 | Coordination environments tune the activity of oxygen catalysis on single atom catalysts:A computational study显示文摘Designing highly efficient bifunctional electrocatalysts for oxygen reduction and evolution reaction(ORR/OER)is extremely important for developing regenerative fuel cells and metal-air batteries.Single-atom catalysts(SACs)have gained considerable attention in recent years because of their maximum atom utilization efficiency and tunable coordination environments.Herein,through density functional theory(DFT)calculations,we systematically explored the ORR/OER performances of nitrogencoordinated transition metal carbon materials(TM-N_(x)-C(TM=Mn,Fe,Co,Ni,Cu,Pd,and Pt;x=3,4))through tailoring the coordination environment.Our results demonstrate that compared to conventional tetra-coordinated(TM-N_(4)-C)catalysts,the asymmetric tri-coordinated(TM-N_(3)-C)catalysts exhibit stronger adsorption capacity of catalytic intermediates.Among them,Ni-N_(3)-C possesses optimal adsorption energy and the lowest overpotential of 0.29 and 0.28 V for ORR and OER,respectively,making it a highly efficient bifunctional catalyst for oxygen catalysis.Furthermore,we find this enhanced effect stems from the additional orbital interaction between newly uncoordinated d-orbitals and p-orbitals of oxygenated species,which is evidently testified via the change of d-band center and integral crystal orbital Hamilton population(ICOHP).This work not only provides a potential bifunctional oxygen catalyst,but also enriches the knowledge of coordination engineering for tailoring the activity of SACs,which may pave the way to design and discover more promising bifunctional electrocatalysts for oxygen catalysis. | Gaofan Xiao Ruihu Lu Jianfeng Liu Xiaobin Liao Zhaoyang Wang Yan Zhao | 2022 | Nano Research2022，15，4： | 1 |
| 9 | Structural properties and electrochemical performance of different polymorphs of Nb_(2)O_(5) in magnesium-based batteries显示文摘The selection of the most suitable crystal structure for ions storage and the investigation of the corresponding reaction mechanism is still an ongoing challenge for the development of Mg-based batteries.In this article,high flexible graphene network supporting different crystal structures of Nb2 O5(TTNb_(2)O_(5)@rGO and T-Nb_(2)O_(5)@rGO) are successfully synthesized by a spray-drying-assisted approach.The three-dimensional graphene framework provides high conductivity and avoids the aggregation of Nb2 O5 nanoparticles.When employed as electrode materials for energy storage applications,TT-Nb_(2)O_(5) delivers a higher discharge capacity of 129.5 mAh g^(-1), about twice that of T-Nb_(2)O_(5) for Mg-storage,whereas,T-Nb_(2)O_(5) delivers a much higher capacity(162 mAh g^(-1)) compared with TT-Nb_(2)O_(5)(129 mAh g^(-1)) for Li-storage.Detailed investigations reveal the Mg intercalation mechanism and lower Mg^(2+) migration barriers,faster Mg^(2+) diffusion kinetics of TT-Nb_(2)O_(5) as cathode material for Mg-storage,and the faster Li+ diffusion kinetics,shorter diffusion distance of T-Nb_(2)O_(5) as cathode material for Li-storage.Our work demonstrates that exploring the proper crystal structure of Nb2 O5 for different ions storage is necessary. | Cunyuan Pei Yameng Yin Xiaobin Liao Fangyu Xiong Qinyou An Mengda Jin Yan Zhao Liqiang Mai | 2021 | Journal of Energy Chemistry2021，30，7： | 1 |
| 10 | Pyrosequencing analysis of bacterial communities in drinking water biofilters receiving influents of different types显示文摘 | Xiaobin Liao Chao Chen Zhao Wang Rui Wan Chih-Hsiang Chang Xiaojian Zhang Shuguang Xie | 2013 | Process Biochemistry2013，，4： | 1 |
| 11 | Changes of biomass and bacterial communities in biological activated carbon filters for drinking water treatment显示文摘 | Xiaobin Liao Chao Chen Zhao Wang Rui Wan Chih-Hsiang Chang Xiaojian Zhang Shuguang Xie | 2012 | Process Biochemistry2012，，： | 1 |
| 12 | Effect of manganese oxide catalyst on the dielectric barrier discharge decom- position of toluene 显示文摘 | GUO YUFANG LIAO XIAOBIN HE JIANHUA | 2010 | Catalysis Today2010，153，34： | 1 |
| 13 | Bioinspired mechanically interlocking holey graphene@SiO_(2)anode显示文摘Mechanically interlocking structures that can enhance adhesion at the interface and regulate the stress distribution have been widely observed in biological systems.Inspired by the biological structures in the wings of beetles,we synthesized a holey graphene@SiO_(2)anode with strong mechanical interlocking,characterized it electrochemically,and explained its performance by finite element analysis and density functional calculations.The mechanically interlocking structure enhances lithium-ion(Li^(+))storage by transmitting the strain from SiO_(2)to the holey graphene and by a mechano-electrochemical coupling effect.The interlocking fit hinders the abscission of SiO_(2)and the distinctive structure reduces the stress and strain of SiO_(2)during(de)lithiation.The positive mechano-electrochemical coupling effect preserves the amount of electrochemically active phase(LixSi)during cycles and facilitates Li+diffusion.Therefore,the capacity shows only a slight attenuation after 8000 cycles(cycling stability),and the specific capacity is~1200 mA h g^(−1)at 5 A/g(rate-performance).This study furnishes a novel way to design high-performance Li^(+)/Na+/K^(+)/Al3^(+)anodes with large volume expansion. | Fei Wang Xiaobin Liao Haoyu Wang Yan Zhao Jian Mao Donald G.Truhlar | 2022 | Interdisciplinary Materials2022，1，4： | 1 |
| 14 | Changes of biomass and bacterial communities in biological activated carbon filters for drinking water treatment显示文摘 | Xiaobin Liao Chao Chen Zhao Wang Rui Wan Chih-Hsiang Chang Xiaojian Zhang Shuguang Xie | 2012 | Process Biochemistry2012，，： | 1 |
| 15 | Heterogeneity of microbial community structures inside the up-flow biological activated carbon (BAC) filters for the treatment of drinking water显示文摘 | Xiaobin Liao Chao Chen Chih-Hsiang Chang Zhao Wang Xiaojian Zhang Shuguang Xie | 2012 | Biotechnology and Bioprocess Engineering2012，，4： | 1 |
| 16 | Changes of biomass and bacterial communities in biological activated carbon filters for drinking water treatment显示文摘 | LIAO Xiaobin CHEN Chao WANG Zhao | 2013 | Process Biochemistry2013，48，2： | 1 |
| 17 | In-situ selective surface engineering of graphene micro-supercapacitor chips显示文摘Surface modification of graphene oxide(GO)is a powerful strategy to develop its energy density for electrochemical energy storage.However,pre-modified GO always exhibits unsatisfactory hydrophilia and its ink-relevant utilization is extremely limited.Although GO ink is widely utilized in fabricating micro energy storage devices via extrusion-based 3D-printing,simultaneously obtaining satisfactory hydrophilia and high energy density still remains a challenge.In this work,an in-situ surface engineering strategy was employed to enhance the performance of GO micro-supercapacitor chips.Three dimensionally printed GO micro-supercapacitor chips were treated with pyrrole monomer to achieve selective and spontaneous anchoring of polypyrrole on the microelectrodes without affecting interspaces between the finger electrodes.The interface-reinforced graphene scaffolds were edge-welded and exhibited a considerably improved specific capacitance,from 13.6 to 128.4 mF·cm^(-2).These results are expected to provide a new method for improving the performance of micro-supercapacitors derived from GO inks and further strengthen the practicability of 3D printing techniques in fabricating energy storage devices. | Yiming Chen Minghao Guo Lin Xu Yuyang Cai Xiaocong Tian Xiaobin Liao Zhaoyang Wang Jiashen Meng Xufeng Hong Liqiang Mai | 2022 | Nano Research2022，15，2： | 0 |
| 18 | Establishing a theoretical insight for penta-coordinated ironnitrogen-carbon catalysts toward oxygen reaction显示文摘Developing highly active iron-nitrogen-carbon catalysts for electrocatalytic oxygen reduction reactions(ORR)is pivotal to future energy technology.The penta-coordinated Fe-N-C with an augmented activity toward the oxygen reduction has been regarded as one of the promising candidates to replace platinum-based ORR catalysts.However,the lack of pertinent fundamental understanding hinders further optimizing the catalytic activity of such catalysts.Herein,through density functional theory(DFT)calculations,we systematically investigated the catalytic activity and ligand/metal coordination effects of 17 penta-coordinated FeN-C catalysts(labeled as FeNC-Xs,X denotes axial ligand).Our results not only show the theoretical overpotential of FeNC-Xs is lower than that of conventional tetra-coordinated Fe-N-C catalysts(labeled as FeNC),verifying the preeminent performance of FeNC-Xs,but also further indicate that the axial coordination effect of X ligands can decrease the orbital hybridization of Fe active center with ORR-relevant intermediates,sequentially accelerating the ORR.More importantly,we reveal that the catalytic activity of FeNC-Xs increases with a decreased electronegativity of X ligands,which can be utilized to describe the axial coordination effect for FeNC-Xs.These findings can deeply advance the understanding of penta-coordinated iron-nitrogencarbon catalysts,which provide timely guidelines for designing optimum Fe-N-C based catalysts. | Ruihu Lu Chenxi Quan Chengyi Zhang Qiu He Xiaobin Liao Zhaoyang Wang Yan Zhao | 2022 | Nano Research2022，15，7： | 0 |
| 19 | The Effective Activation of Apoptosis by AO-95 from the Aerial Part of Alpiniae officinarum in A549 Cell Line显示文摘 | Xiaobin Zeng Hongbo Chen Jun Tian Yang Wang Liao Cui XueyanWang | 2014 | Journal of Health Science2014，2，7： | 0 |
| 20 | Cytophagic Histiocytic Panniculitis with Encephaloclastic Changes:A Case Report and Literature Review显示文摘 | Aijun Liao Huihan Wang Zhuogang Liu Xiaobin Wang Wei Yang Hong Shu | 2006 | Chinese Journal of Clinical Oncology2006，3，3： | 0 |
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