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Insight into rare-earth-incorporated catalysts:The chance for a more efficient ammonia synthesis

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Journal of Advanced Ceramics 2022年第10期11卷 1499-1529页

作者： Yutong GONG Hongchen LI Can LI Xiaobing BAO hideo hosono Junjie WANG State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China School of Materials Science and Engineering Northwestern Polytechnical UniversityXi’an 710072China Materials Research Center for Element Strategy Tokyo Institute of TechnologyYokohama 226-8503Japan

Recent studies have suggested that rare earth(RE)elements in catalysts significantly influence the performance of the ammonia *** REs appear in various forms in the ammonia synthesis catalysts including supports(oxides,hydrides,and nitrides),promotors,and *** the conventional RE oxide-supporting catalysts(mainly Ru/REO),some new RE-containing catalyst systems,such as electrode and nitride systems,could drive the ammonia synthesis via a benign Mars-van Krevelen mechanism or multi-active-site mode,affording high ammonia synthesis performance under mild *** works demonstrate the great potential of RE-containing catalysts for more efficient ammonia *** review summarizes the contributions of different kinds of RE-based catalysts and highlights the function mechanism of incorporated ***,an overview of this area and the challenges for further investigation are provided.

关键词： ammonia synthesis rare earth(RE) heterogeneous catalysis mild conditions mechanism

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电磁场辅助绿色氨合成

Science Bulletin 2024年第1期69卷 7-8页

作者： hideo hosono Tokyo Institute of Technology Yokohama 226-8503Japan National Institute for Materials Science Tsukuba 305-0047Japan

Nitrogen is an indispensable element for life because it is a constituent of amino acids and a key constituent for various materials,as well as fine *** molecules occupy~80%of the atmosphere but are chemically inert due to the strength of the NN triple bond and absence of *** nonpolar nature makes N_(2)totally different from CO with an isoelectronic diatomic structure in ***,it was a challenge in chemistry to activate N_(2)to transform it into chemically usable molecules,such as NH_(3)and NO_(x).The Haber-Bosch(HB)process for the synthesis of NH_(3)from N_(2)and H_(2),which was established in 1913,marked the first practical chemical process of nitrogen fixation through extensive fundamental chemical research and much engineering ingenuity[1,2].This success of the industrial process saves human civilization from a hunger *** then,the HB process has been the predominant method for industrial NH_(3)*** annual NH_(3)production has reached180 million tons globally,which makes it the most mass-produced chemical comparable to methanol.

关键词：氨合成 occupy totally

Crystal and electronic structure engineering of tin monoxide by external pressure

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Journal of Advanced Ceramics 2021年第3期10卷 565-577页

作者： Kun LI Junjie WANG Vladislav ABLATOV Yutong GONG NaotoUMEZAWA Tomofumi TADA hideo hosono Artem ROGANOV State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China International Center for Materials Discovery School of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi’an 710072China Samara Center for Theoretical Materials Science(SCTMS) Samara State Technical UniversitySamara 443100Russia Samara Center for Theoretical Materials Science(SCTMS) Samara UniversitySamara 443011Russia Semiconductor R&D Center Samsung ElectronicsGyeonggi-do 18448Republic of Korea Materials Research Center for Element Strategy Tokyo Institute of TechnologyKanagawa 226-8503Japan Skolkovo Institute of Science and Technology Moscow 143026Russia Moscow Institute of Physics and Technology Dolgoprudny 141700Russia

Although tin monoxide (SnO) is an interesting compound due to its p-type conductivity,a widespread application of SnO has been limited by its narrow band gap of 0.7 *** this work,we theoretically investigate the structural and electronic properties of several SnO phases under high pressures through employing van der Waals (vdW) *** calculations reveal that a metastable SnO (β-SnO),which possesses space group P2_(1)/c and a wide band gap of 1.9 eV,is more stable than α-SnO at pressures higher than 80 ***,a stable (space group P2/c) and a metastable (space group Pnma) phases of SnO appear at pressures higher than 120 *** and topological analyses show that P2/c-SnO has a high possibility to directly transform to β-SnO at around 120 *** work also reveals that β-SnO is a necessary intermediate state between high-pressure phase Pnma-SnO and low-pressure phase α-SnO for the phase transition path Pnma-SnO →β-SnO →α-*** phase transition analyses indicate that there is a high possibility to synthesize β-SnO under high-pressure conditions and have it remain stable under normal ***,our study reveals that the conductive property of β-SnO can be engineered in a low-pressure range (0-9 GPa)through a semiconductor-to-metal transition,while maintaining transparency in the visible light range.

关键词： tin monoxide van der Waals(vdW) topological relationship phase transition band gap

Synthesis of stable iodoplumbate and perovskite for efficient annealing-free device and long-term storage

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SusMat 2023年第6期3卷 821-833页

作者： Jihyun Kim Sang-Won Park Younghyun Lee hideo hosono Byungwoo Park Jinhyun Kim Department of Chemical and Materials Engineering University of SuwonHwaseongSouth Korea MDX Research Center for Element Strategy International Research Frontiers InitiativeTokyo Institute of TechnologyYokohamaJapan Department of Materials Science and Engineering Korea Advanced Institute of Science and TechnologyDaejeonSouth Korea Department of Materials Science and Engineering Research Institute of Advanced MaterialsSeoul National UniversitySeoulSouth Korea

As a next-generation photovoltaic device,perovskite solar cells are rapidly ***,both solution and device stability pose challenges for commercialization due to chemical degradation caused by internal and external ***,the decomposition of iodoplumbate in a perovskite solution hinders the long-term use of perovskite ***,the synthesis of stable perovskites at low temperature is important for stable devices and wide applications(flexible devices and high reproducibility).Herein,the critical composition of perovskite is found to obtain high stabilities of both iodoplumbate and perovskite crystals by utilizing CsPbBr_(3) and FAPbI_(3),exhibiting high device performance and long-term solution *** novel composition of CsPbBr_(3)-alloyed FAPbI_(3) not only crystallizes under annealing-free conditions but also demonstrates excellent iodoplumbate stability for 100 days(∼3000 h)without any ***,high device stabilities are achieved over 2000 and 3000 h under extreme conditions of A.M.1.5 and 85℃/85%relative humidity,***,the device exhibited a high power conversion efficiency of 23.4%,and furthermore,CsPbBr_(3)-alloyed FAPbI_(3) was devoted to widen the applications in both flexible and carbon-electrode devices,thereby addressing both scientific depths and potential commercial materials.

关键词： annealing free DFT calculation iodoplumbate long-term stability perovskite solar cells

Large magnetocaloric effect in van der Waals crystal CrBr3

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Frontiers of physics 2019年第4期14卷 71-75页

作者： Xiaoyun Yu Xiao Zhang Qi Shi Shangjie Tian Hechang Lei Kun Xu hideo hosono State Key Laboratory of Information Photonics and Optical Communications & School of Science Beijing University of Posts and Telecommunications Beijing 100876 China Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices Renmin University of China Beijing 100872 China Materials Research Center for Element Strategy Tokyo Institute of Technology (MCES) Yokohama Kanagawa 226-8503 Japan Materials and Structures Laboratory Tokyo Institute of Technology Yokohama Kanagawa 226-8503 Japan

We study the magnetocaloric effect (MCE) in van der Waals (vdW) crystal *** CrBr3 exhibits a second-order paramagnetic-ferromagnetic phase transition with TC =33 *** maximum magnetic entropy change-△SM near TC is about 7.2 ***-1.K-1 with the maximum adiabatic temperature change △Tadmax =2.37 K and the relative cooling power RCP =191.5 ***-1 at μoH =5 T,all of which are remarkably larger than those in *** results suggest that the vdW crystal CrBr3 is a promising candidate for the low-dimensional magnetic refrigeration in low temperature region.

关键词： magnetocalotic effect 2D magnetic materials

Superconductivity in the Layered Cage Compound Ba_(3)Rh_(4)Ge_(16)

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Chinese Physics Letters 2021年第12期38卷 69-75页

作者： Yi Zhao Jun Deng A.Bhattacharyya D.T.Adroja P.K.Biswas Lingling Gao Weizheng Cao Changhua Li Cuiying Pei Tianping Ying hideo hosono Yanpeng Qi School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China University of Chinese Academy of Science Beijing 100049China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Department of Physics Ramakrishna Mission Vivekananda Educational and Research InstituteBelur MathHowrah 711202West BengalIndia ISIS Facility Rutherford Appleton LaboratoryChiltonDidcot OxonOX110QXUnited Kingdom Highly Correlated Matter Research Group Physics DepartmentUniversity of JohannesburgP.O.Box 524Auckland Park 2006South Africa Materials Research Center for Element Strategy Tokyo Institute of Technology4259 NagatsutaMidori-kuYokohama 226-8503Japan

We report the synthesis and superconducting properties of a layered cage compound Ba_(3)Rh_(4)Ge_(16).Similar to Ba_(3)Ir_(4)Ge_(16),the compound is composed of 2 D networks of cage units,formed by noncubic Rh-Ge building blocks,in marked contrast to the reported rattling *** electrical resistivity,magnetization,specific heat capacity,andμSR measurements unveiled moderately coupled s-wave superconductivity with a critical temperature T_(c)=7.0 K,the upper critical field μ_(0)H_(c2)(0)~2.5 T,the electron-phonon coupling strength λ_(e-ph)~0.80,and the Ginzburg-Landau parameterκ~*** mass reduction with the substitution of Ir by Rh is believed to be responsible for the enhancement of T_(c) and coupling between the cage and guest *** results highlight the importance of atomic weight of framework in cage compounds in controlling the λ_(e-ph) strength and T_(c).

关键词： Cage coupling critical

Identifying quasi-2D and 1D electrides in yttrium and scandium chlorides via geometrical identification

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npj Computational Materials 2018年第1期4卷 17-25页

作者： Biao Wan Yangfan Lu Zewen Xiao Yoshinori Muraba Junghwan Kim Dajian Huang Lailei Wu Huiyang Gou Jingwu Zhang Faming Gao Ho-kwang Mao hideo hosono Key Laboratory of Metastable Materials Science and Technology College of Material Science and EngineeringYanshan University066004 QinhuangdaoChina Center for High Pressure Science and Technology Advanced Research 100094 BeijingChina Materials Research Center for Element Strategy Tokyo Institute of Technology4259 NagatsutachoMidori-ku Yokohama226-8503 KanagawaJapan Laboratory for Materials and Structures Institute of Innovative ResearchTokyo Institute of TechnologyMailbox R3-44259 Nagatsuta-choMidori-ku226-8503 YokohamaJapan Key Laboratory of Applied Chemistry College of Environmental and Chemical EngineeringYanshan University066004 QinhuangdaoChina Geophysical Laboratory Carnegie Institution of Washington5251 Broad Branch Road NWWashingtonDC 20015USA

Developing and understanding electron-rich electrides offers a promising opportunity for a variety of electronic and catalytic *** a geometrical identification strategy,here we identify a new class of electride material,yttrium/scandium chlorides Y(Sc)_(x)Cl_(y)(yx<2).Anionic electrons are found in the metal octahedral framework *** diverse electronic dimensionality of these electrides is quantified explicitly by quasi-two-dimensional(2D)electrides for[YCl]^(+)∙e−and[ScCl]^(+∙)e−and one-dimensional(1D)electrides for[Y_(2)Cl_(3)]^(+)∙e−,[Sc_(7)Cl_(10)]^(+)∙e−,and[Sc5Cl8]2+∙2e−with divalent metal elements(Sc^(2+):3d^(1) and Y^(2+):4d^(1)).The localized anionic electrons were confined within the inner-layer spaces,rather than inter-layer spaces that are observed in A_(2)B-type 2D electrides,***_(2)***,when hydrogen atoms are introduced into the host structures to form YClH and Y2Cl3H,the generated phases transform to conventional ionic compounds but exhibited a surprising reduction of work function,arising from the increased Fermi level energy,contrary to the conventional electrides reported so far.Y_(2C)l_(3) was experimentally confirmed to be a semiconductor with a band gap of 1.14 *** results may help to promote the rational design and discovery of new electride materials for further technological applications.

关键词： yttrium quasi rational

Pressure-induced reemergence of superconductivity in BaIr_(2)Ge_(7)and Ba_(3)Ir_(4)Ge_(16)with cage structures

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Matter and Radiation at Extremes 2022年第3期7卷 62-69页

作者： Cuiying Pei Tianping Ying Yi Zhao Lingling Gao Weizheng Cao Changhua Li hideo hosono Yanpeng Qi School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Materials Research Center for Element Strategy Tokyo Institute of TechnologyYokohama 226-8503Japan ShanghaiTech Laboratory for Topological Physics ShanghaiTech UniversityShanghai 201210China Shanghai Key Laboratory of High-Resolution Electron Microscopy ShanghaiTech UniversityShanghai 201210China

Clathrate-like or caged compounds have attracted great interest owing to their structural flexibility,as well as their fertile physical ***,we report the pressure-induced reemergence of superconductivity in BaIr2Ge7 and Ba3Ir4Ge16,two new caged superconductors with two-dimensional building blocks of cage *** suppression of the ambient-pressure superconducting(SC-I)states,new superconducting(SC-II)states emerge unexpectedly,with Tc increased to a maximum of 4.4 and 4.0 K for BaIr2Ge7 and Ba3Ir4Ge16,*** with high-pressure synchrotron x-ray diffraction and Raman measurements,we propose that the reemergence of superconductivity in these caged superconductors can be ascribed to a pressure-induced phonon softening linked to cage shrinkage.

关键词： ambient cage superconductors

Robust two-gap strong coupling superconductivity associated with low-lying phonon modes in pressurized Nb5Ir3O superconductors

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Chinese Physics B 2019年第10期28卷 215-221页

作者： Bosen Wang Yaoqing Zhang Shuxiang Xu Jin-Guang Cheng Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of SciencesBeijing 100190China Institute for Solid State Physics University of TokyoKashiwanoha 5-1-5KashiwaChiba 277-8581Japan Materials Research Center for Element Strategy Tokyo Institute of TechnologyYokohama 226-8503Japan Songshan Lake Materials Laboratory Dongguan 523808China

We report robust superconducting state and gap symmetry of Nb5Ir3O via electrical transport and specific heat measurements. The analysis of specific heat manifests that Nb5Ir3O is a strongly coupled superconductor with ΔC/γnTc ~ 1.91 and double s-wave superconducting gaps of 2ΔL(0)/kBTc ~ 6.56 and 2ΔS(0)/kBTc ~ 2.36 accounting for 90% and 10%,respectively. The(Cp-γnT)/T^3 vs. T plot shows a broad peak at ~ 23 K, indicating phonon softening and the appearance of low-lying phonon mode associated with the interstitial oxygen. This behavior explains the monotonic increase of Tc in Nb5Ir3O(1-δ)by strengthening the electron-phonon coupling and enlarging the density of states at Fermi level. The Hall coefficient is temperature independent below 200 K, and changes its sign from positive to negative above 250 K, suggesting that carrier is across the hole-to electron-dominant regions and the multi-band electronic structures. On warming, the resistivity shows a gradual crossover from T^2-to T^3-dependence at a critical temperature T^*, and a broad peak at a temperature Tp. The reduced Tc under pressure is linearly correlated with lattice parameters c/a ratio and Tp, suggesting the important phonon contributions in Nb5Ir3O as a phonon-medicated superconductor. Possible physical mechanisms are proposed.

关键词： new superconductor high-pressure effect strongly coupled superconductor