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| 1 | Recent advances in non-precious metal electrocatalysts for pH-universal hydrogen evolution reaction显示文摘Hydrogen production by water electrolysis is a compelling technology to produce fuels and chemicals powered by renewable energy.It is highly desirable to develop cost-effective and durable electrocatalysts for hydrogen evolution reaction(HER).This review has summarized recent progress in mechanism understanding of non-precious metal electrocatalysts for pH-universal HER.The general approaches have been demonstrated to overcome the activity/stability limitations of the electrocatalysts for HER in a broad pH range.The perspectives and challenges for the development of p H-universal HER electrocatalysts have also been proposed.This review sheds light on the design and fabrication of high-performance electrocatalysts for versatile HER-related energy technologies. | Shen Zhang Xing Zhang Yuan Rui Ruihu Wang Xiaoju Li | 2021 | Green Energy & Environment2021，6，4： | 4 |
| 2 | Spatial control of palladium nanoparticles in flexible click-based porous organic polymers for hydrogenation of olefins and nitrobenzene显示文摘二灵活基于按的多孔的器官的聚合物(CPP-F1 和 CPP-F2 ) 乐意地被综合了。SEM 图象证明 CPP-F1 是一个 3D 网络,当 CPP-F2 展出小粒的形态学时。Pd (OAc )< 潜水艇 class= “ a-plus-plus ” > 2 能容易被合并到 CPP-F1 和 CPP-F2 分别地形成 Pd@CPP-F1 和 Pd@CPP-F2。在聚合物和钯之间的相互作用被证实由固态 < 啜 class= “ a-plus-plus ” > 13 C NMR,红外和 XPS。护卫 nanoparticles (NP ) 在石蜡和硝基苯的加氢以后被形成。在 CPP-F1 的护卫 NP 很好在聚合物的外部表面上被驱散,当在 CPP-F2 的钯 NP 位于内部毛孔并且在外部表面上时。与在 CPP-F1 的 NP 比较,在 CPP-F2 的钯 NP 的双分发在 1,3-cyclohexadiene 的加氢导致更高的选择到环己烷。没有催化活动的明显的损失或钯 NP 的凝块,催化系统能若干次被再循环。热过滤,水银落下测试和 ICP 分析建议催化系统经由一条异构的小径继续。 | Liuyi Li | 2015 | Nano Research2015，8，3： | 3 |
| 3 | Hollow click-based porous organic polymers for heterogenization of [Ru(bpy)3]2+ through electrostatic interactions显示文摘为用在空基于按的多孔的器官的聚合物(H-CPPs ) 的非共有原子价相互作用的转变金属催化剂的 heterogenization 的一条灵巧的途径被介绍。催化地活跃的 cationic 种,[Ru (bpy )3]2+(bpy = 2,2-bipyridyl ) ,经由静电的相互作用在 H-CPPs 被使不能调动。内在的性质[Ru (bpy )3]2+ 很好被保留。当在可见光的照耀下面为 4-methoxyphenylboronic 酸的氧化 hydroxylation 使用了到 4-methoxyphenol 时,产生 Rucontaining 空聚合物展出了优秀催化活动,提高的稳定性,和好再循环能力。吸引人的催化表演主要从有效集体转移和 cationic Ru 建筑群的化学性质的维护导致了 H-CPPs。 | Liuyi Li Caiyan Cui Wenyue Su Yangxin Wang Ruihu Wang | 2016 | Nano Research2016，9，3： | 2 |
| 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 | Tunable Ru-Ru2P heterostructures with charge redistribution for efficient pH-universal hydrogen evolution显示文摘Designing synergistic heterogeneous catalytic interfaces is the key to developing highly compatible pH-universal electrocatalysts for complex chemical environments.Our theoretical calculation results demonstrate that the Ru-Ru2P heterointerface can not only promote the redistribution of charges,but also reduce the d-band center,and then enhances the adsorption capacity of the key intermediate.However,in situ and facile synthesis of Ru-Ru2P heterostructures is severely limited by thermodynamic obstacles.Herein,we propose a molten salt-assisted catalytic synthesis scheme,and successfully build a series of homologous metallic Ru-Ru2P heterostructure catalysts with different molar ratios of Ru to P under atmospheric pressure and low-temperature(400C).The resultant Ru-Ru2P with rich heterostructures show the Pt-like HER performance in different pH media.Particularly,it is prominent under alkaline conditions(18 mV@10 mA cm^(2)),which outperforms the Pt catalyst(37 mV@10 mA cm^(2)).Furthermore,Ru-Ru2P heterostructures also show certain potential in the electrolysis of seawater to produce hydrogen.This work represents a significant supplement of high-efficiency pH-universal HER catalysts,and provides a new light on interface engineering in energy technology fields and beyond. | Ding Chen Ruohan Yu Ruihu Lu Zonghua Pu Pengyan Wang Jiawei Zhu Pengxia Ji Dulan Wu Jinsong Wu Yan Zhao Zongkui Kou Jun Yu Shichun Mu | 2022 | InfoMat2022，4，5： | 2 |
| 6 | Epitaxially Grown Ru Clusters-Nickel Nitride Heterostructure Advances Water Electrolysis Kinetics in Alkaline and Seawater Media显示文摘The epitaxial heterostructure can be rationally designed based on the in situ growth of two compatible phases with lattice similarity,in which the modulated electronic states and tuned adsorption behaviors are conducive to the enhancement of electrocatalytic activity.Herein,theoretical simulations first disclose the charge transfer trend and reinforced inherent electron conduction around the epitaxial heterointerface between Ru clusters and Ni_(3)N substrate(cRu-Ni_(3)N),thus leading to the optimized adsorption behaviors and reduced activation energy barriers.Subsequently,the defectrich nanosheets with the epitaxially grown cRu-Ni_(3)N heterointerface are successfully constructed.Impressively,by virtue of the superiority of intrinsic activity and reaction kinetics,such unique epitaxial heterostructure exhibits remarkable bifunctional catalytic activity toward electrocatalytic OER(226 mV@20 mA cm^(−2))and HER(32 mV@10 mA cm^(−2))in alkaline media.Furthermore,it also shows great application prospect in alkaline freshwater and seawater splitting,as well as solar-to-hydrogen integrated system.This work could provide beneficial enlightenment for the establishment of advanced electrocatalysts with epitaxial heterointerfaces. | Jiawei Zhu Ruihu Lu Wenjie Shi Lei Gong Ding Chen Pengyan Wang Lei Chen Jinsong Wu Shichun Mu Yan Zhao | 2023 | Energy & Environmental Materials2023，6，2： | 2 |
| 7 | 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 |
| 8 | A novel nonlinear optically active tubular coordination network based on two distinct homo-chiral helices 显示文摘 | Han Lei Hong Maochun Wang Ruihu | 2003 | Chem Commun2003，，20： | 1 |
| 9 | Furazan-func-tionalized tetrazolate-based salts:A new family of insen-sitive energetic materials显示文摘 | Wang Ruihu Guo Rong Zeng Zhuo | 2009 | Chem Eur J2009，15，： | 1 |
| 10 | Metalloporphyrin-based covalent organic frameworks composed of the electron donor-acceptor dyads for visible-light-driven selective CO2 reduction显示文摘The visible-light-driven photocatalytic CO2 reduction with high efficiency is highly desirable but challenging.Herein,we present porphyrin-tetraphenylethene-based covalent organic frameworks(MP-TPE-COF,where M=H2,Co and Ni;TPE=4,4′,4″,4?-(ethane-1,1,2,2-tetrayl)tetrabenzaldehyde;COF=covalent organic framework)as ideal platforms for understanding photocatalytic CO2 reduction at molecular level.Experimental and theoretical investigations have demonstrated crucial roles of metalloporphyrin units in selective adsorption,activation and conversion of CO2 as well as in the separation of charge carriers and electron transfer,thus allowing for flexible modulation of photocatalytic activity and selectivity.Co P-TPE-COF exhibits high CO evolution rate of 2,414μmol g-^1 h^-1 with the selectivity of 61%over H2 generation under visible-light irradiation,while Ni P-TPE-COF provides CO evolution rate of 525μmol g^-1 h^-1 and 93%selectivity with superior durability.Moreover,the photocatalytic system is feasible for the simulated flue gas,which provides CO evolution rate of 386μmol g-1 h-1 and selectivity of 77%.This work provides in-depth insight into the structure-activity relationships toward the activation and photoreduction of CO2. | Haowei Lv Rongjian Sa Pengyue Li Daqiang Yuan Xinchen Wang Ruihu Wang | 2020 | Science China Chemistry2020，63，9： | 1 |
| 11 | AdaBoost for feature selection, classification and its relation with SVM, A Review显示文摘 | WANG Ruihu | 2012 | Physics Procedia2012，25，： | 1 |
| 12 | Adaboost for feature selection, classification and its relation with SVM, a review 显示文摘 | Ruihu Wang | 2012 | Physics Procedia2012，，25： | 1 |
| 13 | Furazanfunctionalized tetrazolate-based salts: A new family of insensitive energetic materials显示文摘 | Wang Ruihu Guo Yong Zeng Zhuo | 2009 | Chemistry -- A European Journal2009，15，11： | 1 |
| 14 | Bis -based energetic salts: Synthesis and promising properties of a new family of high-density insensitive materials显示文摘 | Wang Ruihu Xu Hongyan Guo Yong | 2010 | J Am Chem Soc2010，132，34： | 1 |
| 15 | Furazan-fune- tionalized tetrazolate-based sahs:A new family of insensi- tive energetic materials 显示文摘 | Wang Ruihu Guo Yong Zeng Zhuo | 2009 | Chem Eur J2009，15，： | 1 |
| 16 | Syntheses, structures and luminescent properties of chain-like Zn (II) and Cd (II) complexes of 1,3-phenylenediacetate ligand显示文摘 | Zhou Youfu Wang Ruihu Wu Benlai | 2004 | J Mol Struct2004，697，： | 1 |
| 17 | Furazan-functionalized tetrazolate-based salts:A new family of insensitive energetic materials显示文摘 | Wang Ruihu Guo Yong Zeng Zhuo | | 0，，： | 1 |
| 18 | Revisit of event-based rainfall characteristics at Shapotou area in northern China显示文摘Distribution of rainfall event sizes and interval lengths between events are important characteristics of arid and semi-arid climates. Understanding their importance will contribute to our ability to understand ecosystem dynamics in these regions. Rainfall event timing and magnitude are important drivers of ecosystem processes and are instrumental in creating landscape heterogeneity in arid and semi-arid regions. Rainfall event characteristics were analyzed using an automatic tipping-bucket rain-gauge record across the entire summer monsoon season from 2008 to 2015 at the arid desert area of Shapotou in the Tengger Desert, China. Changing the minimum inter-event time(MIT) from 30 min to 24 h alters the number of rainfall events from 64 to 25 for the event depth larger than 0.1 mm. The mean rainfall intensity declined from 0.95 mm/h to 0.53 mm/h, and the geometric mean event duration rose from 0.55 h to 4.4 h. The number of rainfall events, mean rainfall intensity, and geometric mean event duration differed under different criteria of individual rainfall depths, except that for an individual rainfall depth of 0.5, 1.0, and 5.0 mm. The aforementioned features differed only at the lowest range of the mean rainfall intensity and depth for MIT=3 and 6 h. These findings suggest that identification of event-based rainfall in this specific arid region can be better achieved by setting the MIT at six hours. The wide variation in rainfall event properties indicate the need for paying more attention to the proper selection and reporting of event criteria in studies that adopt event-based data analysis. This is especially true in quantifying effective rainfall for soil water replenishment in terms of rainfall depth and intensity with infrequent rainfall events. | XinPing Wang YaFeng Zhang RuiHu YanXia Pan HaoJie Xu Wei Shi YanXia Jin Hiroshi Yasuda | 2016 | Research in Cold and Arid Regions2016，8，6： | 1 |
| 19 | 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 |
| 20 | Exploring the growth mechanism of CuSbSe_(2)thin film prepared by electrodeposition显示文摘Copper antimony selenium(CuSbSe_(2))has advantages of adjustable band gaps from 1.09 eV to 1.2 eV,high light absorption coefficient(>105 cm-1),and low grain generation temperature(300—400℃),which is suitable for the preparation of solar cells.However,the stable range of CuSbSe_(2)(CASe)phase is narrow,which is inevitable to form Sb_(2)Se_(3)and Cu_(3)SbSe_(4)second phase during the preparation process.In this work,selenization annealing of Sb/Cu metal layer to prepare CASe thin films with pulse electrodeposition process was studied,and the growth mechanism of CASe film was analyzed.Cu and Sb reacted with Se to form Cu_(2)Se and Sb_(2)Se_(3),respectively.Then Cu_(2)Se and Sb_(2)Se_(3)further reacted to generate CASe.Since the formation temperature of Cu_(3)SbSe_(4)was lower than that of CASe,the preferential formation of Cu_(3)SbSe_(4)led to layer separation.When the annealing temperature was too high,CASe decomposed to form Cu_(3)SbSe_(3)and Sb_(2)Se_(3).Additionally,by increasing the heating rate,the separation of CASe thin films was effectively improved,and the CASe thin films with relatively high crystallinity were obtained at 360℃with heating rate of 30℃/min and selenization time of 20 min. | WANG Ruihu BI Jinlian LI Wei YUAN Yujie XING Yupeng YAO Liyong | 2023 | Optoelectronics Letters2023，19，9： | 0 |
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