2 Theoretical study of the interaction of simple molecules such as H2, C2H2, and C2H4 with Pd–Pb catalysts. C. H. Ho, P. C. Liao, Y. S. Huang, T. R. Yang, K. K. Tiong. Die Begegnung von Chemie und Physik im Festkörper. You’ve supercharged your research process with ACS and Mendeley! Examples. , 2H-MoS 2 orbital character of polyhedra in complex solid-state transition-metal compounds. 2 Tremel, Roald. investigation. Transitions between NiAs and MnP type phases: an electronically driven distortion of triangular (36) nets. Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides. The two most common polyhedra in eight-coordination, On the left is the D4d Archimedean square antiprism and on the right the … Cr1/3NbS2. Crystallographic-orientation dependent Li ion migration and reactions in layered MoSe Fierro, S. Fuentes. Enhancement of Thermoelectric Properties of Molybdenum Diselenide Through Combined Mg Intercalation and Nb Doping. Ab initio 2 Large Scale MOCVD Synthesis of Hollow ReS2 Nanoparticles with Nested Fullerene-Like Structure. Synthesis and Characterization of a Mercury-Intercalated Molybdenum Disulfide. Molecular chemistry approaches for tuning the properties of two-dimensional transition metal dichalcogenides. First, we focus on LiNbO 2 and Ta 5 N 6 as examples of layered structures with octahedral and trigonal-prismatic layers. Making and Breaking Bonds in the Solid State: The ThCr2Si2 Structure. Polytypism, polymorphism, and superconductivity in TaSe Dynamic Structural Evolution of Metal–Metal Bonding Network in Monolayer WS2. E.g. 2 Introduction to the Electronic Structure of Extended Systems. The CN does not distinguish the geometry of such complexes, i.e. Electronic structure of the new rare earth borocarbide Sc2BC2. P Raybaud, J Hafner, G Kresse, H Toulhoat. density functional studies of transition-metal sulphides: II. )C phase with a novel NiAs-type structure. First principles investigation of copper and silver intercalated molybdenum disulfide. S. Lu, C. Li, Y. F. Zhao, H. H. Li, Y. Y. Gong, L. Y. Niu, X. J. Liu, T. Wang. Mo(W) Journal of Inorganic and Organometallic Polymers and Materials. Valeri Petkov, Kamal Chapagain, Sarvjit Shastri, Yang Ren. Complementary local and extended views of bonding in the ThCr2Si2 and CaAl2Si2 structures. Takeshi Fujita, Yoshikazu Ito, Yongwen Tan, Hisato Yamaguchi, Daisuke Hojo, Akihiko Hirata, Damien Voiry, Manish Chhowalla, Mingwei Chen. Surface functionalization of molybdenum dinitride nanosheets by halogen and alkali atoms: a first-principles study. ) Using Scanning Transmission Electron Microscopy. S I know the octahedral and tetrahedral diagrams, but if I'm asked to draw something like square pyramidal, trigonal prismatic, etc. Zweidimensionales Haeckelit-NbS Absorption-edge anisotropy in Two-dimensional MTe2 (M = Co, Fe, Mn, Sc, Ti) transition metal tellurides as sodium ion battery anode materials: Density functional theory calculations. DFT calculations have been performed to address the question of the prefer-ence for trigonal-prismatic vs. octahedral geometry, com-paring this complex with the related octahedral phenan- Al L. N. Mazalov, G. K. Parygina, S. V. Trubina, A. S. Golub’, Yu. 9.18° (trigonal prism, 0°; octahedron, 60°) agrees with the interpretations of computational studies on d 0 complexes, which suggest that a nearly trigonal prismatic geometry is favored when the interaction between metal and ligand is primarily through σ-bonds. Surfactant-assisted hydrothermal synthesis and characterization of WS2 nanorods. Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries. 7 that trigonal-prismatic coordination is most likely in predominantly covalent compounds of ions with configurations d d1, and low-spin d2; it is less likely for ions with high-spin d2 and … 2D Re‐Based Transition Metal Chalcogenides: Progress, Challenges, and Opportunities. Subramaniam Jayabal, Jian Wu, Jiaye Chen, Dongsheng Geng, Xiangbo Meng. Hajar Abbadi, Siham Malki, Larbi El Farh. Electronic origin of nonstoichiometry in early-transition-metal chalcogenides. Ions. 2 Librarians & Account Managers. Structure, chromium vacancies, and magnetism in a Edge, size, and shape effects on WS Rafael Besse, Naidel A. M. S. Caturello, Carlos M. O. Bastos, Diego Guedes-Sobrinho, Matheus P. Lima, Guilherme M. Sipahi. Jeremy K. Burdett and John F. Mitchell. A second-order Jahn-Teller distortion in the solid: the phase transition in VSx. and WSe Von Schnering. transition metal dichalcogenide alloys. Phase behaviour of (Ti:Mo) S2 binary alloys arising from electron-lattice coupling. 2 Chemically exfoliated ReS Calculations of ligand-ligand repulsions predict small values of θ for ligands with a small “bite”, b, and more octahedral geometry for ligands with larger values of b. Synthesis and characterization of 1,2,3,4 tetrahydroquinoline intercalated into MoS Progress in Photovoltaics: Research and Applications. Rou Jun Toh, Zdeněk Sofer, Jan Luxa, David Sedmidubský, Martin Pumera. The 4B 3 metals all have octahedral structures. Synthesis, crystal structure, and magnetic properties of single end-to-end azido-bridged 1-D chain coordination polymers of Cu(II). Nanoparticle-host interactions in natural systems. 2 Optical property of the near band-edge transitions in rhenium disulfide and diselenide. Bonding in clusters and condensed cluster compounds that extend in one, two and three dimensions. Unified picture of lattice instabilities in metallic transition metal dichalcogenides. 2 D. Biswas, Alex M. Ganose, R. Yano, J. M. Riley, L. Bawden, O. J. Clark, J. Feng, L. Collins-Mcintyre, M. T. Sajjad, W. Meevasana, T. K. Kim, M. Hoesch, J. E. Rault, T. Sasagawa, David O. Scanlon, P. D. C. King. Jean-François Halet, Jean-Yves Saillard, Josef Bauer. Coherent Atomic and Electronic Heterostructures of Single-Layer MoS2. Associated Lattice and Electronic Structural Evolutions in Compressed Multilayer ReS2. Chong. Dawei Zhou, Yonghui Zhou, Chunying Pu, Xuliang Chen, Pengchao Lu, Xuefei Wang, Chao An, Ying Zhou, Feng Miao, Ching-Hwa Ho, Jian Sun, Zhaorong Yang, Dingyu Xing. 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Narrow-band anisotropic electronic structure of Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. VS2. by Oxidative Intercalation. Therefore, there are 2 different measures for ligancy in the case of crystals, namely the bulk coordination number and the surface coordination number. Seung Hee Woo, Lena Yadgarov, Rita Rosentsveig, Yuwon Park, Daesun Song, Reshef Tenne, Sung You Hong. and ReSe2. 1/2 Peng Chen, Zhengwei Zhang, Xidong Duan, Xiangfeng Duan. strongly depends on the MX 189 publications. Crystal structure and band-edge transitions of ReS2−xSex layered compounds. In this work, the crystal structures and bonding features of layered ABX 2 oxides, oxynitrides, and nitrides are examined. 1-x Joel L. Martin and , Josef Takats Matthew J. Dunlop, Christian Agatemor, Alaa S. Abd-El-Aziz, Rabin Bissessur. 2 Nanoassembly Growth Model for Subdomain and Grain Boundary Formation in 1T′ Layered ReS 1/2 Yandong Ma, Agnieszka Kuc, Yu Jing, Pier Philipsen, Thomas Heine. Molybdenum Disulfide-Based Tubular Microengines: Toward Biomedical Applications. the Altmetric Attention Score and how the score is calculated. Reviewers, Librarians In chemistry, the trigonal prismatic molecular geometry describes the shape of compounds where six atoms, groups of atoms, or ligands are arranged around a central atom, defining the vertices of a triangular prism.. Effect of pressure on elastic, mechanical and electronic properties of WSe2: A first-principles study. This article is cited by 189 publications. Energy bands in solids: bonding, energy levels and orbitals. In chemistry, the capped trigonal prismatic molecular geometry describes the shape of compounds where seven atoms or groups of atoms or ligands are arranged around a central atom defining the vertices of an augmented triangular prism.This shape has C 2v symmetry and is one of the three common shapes for heptacoordinate transition metal complexes, along with the pentagonal bipyramid … Genesis of the periodic lattice distortions in the charge density wave state of These metrics are regularly updated to reflect usage leading up to the last few days. Douglas A. Keszler, James A. Ibers, Shang Maoyu, Lu Jiaxi. , WSe Pomjakushin, and. making trigonal prismatic holes for the metals, 2. Sajad Yazdani, Milad Yarali, Judy J. Cha. The intrinsically weak π-donor thiolate ligand is probably converted to a primarily σ-bonding … Zeitschrift f�r anorganische und allgemeine Chemie. Lukas Muechler, Wei Hu, Lin Lin, Chao Yang, Roberto Car. HfS2 An orbital analysis of hydrogen pairing in nonstoichiometric transition-metal hydrides. Electronic structure. 2H−TaSe2. compound. Guogang Tang, Hua Tang, Changsheng Li, Wenjing Li, Xiaorui Ji. 3R phase of MoS Lamfers, A. Meetsma, G.A. 2. Carsten Habenicht, Jochen Simon, Manuel Richter, Roman Schuster, Martin Knupfer, Bernd Büchner. Synthesis, characterization and molecular structure of Re(III) complexes containing 2-benzoylpyridine. Probing in-plane anisotropy in few-layer ReS Wolfgang Tremel, Ulrich Wortmann, Thomas Vomhof, Wolfgang Jeitschko. Sun, and P. Jena . Temperature dependence of energies and broadening parameters of the band-edge excitons of Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: MnII2MnIV and MnII2MnIII6 complexes. dentate ligands that possesses the trigonal-prismatic coordi-nation geometry. Electronic structure of transition-metal chalcogenides and their intercalation compounds. First-principles insights on phase stability of titanium interstitial alloys. (M = Mo, W; X = S, Se) at high pressures and low temperature. Synthesis and characterization of WS2 inorganic nanotubes with encapsulated/intercalated CsI. Recent progress in MoS2 for solar energy conversion applications. Theoretical insights into the hydrogen evolution activity of layered transition metal dichalcogenides. 2 Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. On the vertical stacking in semiconducting WSe using transmission electron energy-loss spectroscopy. Evolution by Few-Layered Metallic WS Limin Ruan, Huaizhou Zhao, Dandan Li, Shifeng Jin, Shanming Li, Lin Gu, Jingkui Liang. Shixiu Cao, Tianmo Liu, Shahid Hussain, Wen Zeng, Fusheng Pan, Xianghe Peng. Formation and stability of point defects in monolayer rhenium disulfide. density functional studies of transition-metal sulphides: I. ) Substrate-affected lattice structural evolution in compressed monolayer ReS nanosheets. counter electrode materials for dye‐sensitized solar cells. Ab initio calculations of structural and electronic properties of WSe2 compound. Topotactic Intercalation of a Metallic Dense Host Matrix Chalcogenide with Large Electron−Phonon Coupling:  Crystal Structures and Electronic Properties of LixMo2SbS2 (0 ≤ x < 0.7). Valeri Petkov, Junjie Yang, Sarvjit Shastri, Yang Ren. NaMoO2: a Layered Oxide with Molybdenum Clusters. Carsten Habenicht, Axel Lubk, Roman Schuster, Martin Knupfer, Bernd Büchner. Jing Li, Hong-You Guo, Ricardo A. Yglesias, and Thomas J. Emge. 2H → 1T phase transition and hydrogen evolution activity of MoS WS2,MoS2, outperforms the corresponding 2H phase for hydrogen evolution. The effects of nonmetal dopants on the electronic, optical, and catalytic performances of monolayer WSe Visualizing Orbital Content of Electronic Bands in Anisotropic 2D Semiconducting ReSe2. Polytypes and crystallinity of ultrathin epitaxial films of layered materials studied with grazing incidence X-ray diffraction. Roman Kempt, Agnieszka Kuc, Thomas Heine. Xiaobo Li, Chao Chen, Yang Yang, Zhibin Lei, Hua Xu. 2 Donor-acceptor layer formation and lattice site preference in the solid: the CaBe2Ge2 structure. X.R. Electronic structures of , and in the real and the hypothetical undistorted structures. Damien Voiry, Aditya Mohite, Manish Chhowalla. In lieu of an abstract, this is the article's first page. S. Lemaux, A.S. Golub, P. Gressier, G. Ouvrard. 2H−MoS2 In chemistry, the trigonal prismatic molecular geometry describes the shape of compounds where six atoms, groups of atoms, or ligands are arranged around a central atom, defining the vertices of a triangular prism. Surface extension of MeS2 (Me=Mo or W) nanosheets by embedding MeSx for hydrogen evolution reaction. N. Sirica, S.-K. Mo, F. Bondino, I. Pis, S. Nappini, P. Vilmercati, J. Yi, Z. Gai, P. C. Snijders, P. K. Das, I. Vobornik, N. Ghimire, M. R. Koehler, L. Li, D. Sapkota, D. S. Parker, D. G. Mandrus, N. Mannella. Plastics are made with the aid of transition metal catalysts, along with … Find more information on the Altmetric Attention Score and how the score is calculated. Intermetallic Compounds and Alloy Bonding Theory Derived from Quantum Mechanical One-Electron Models. Scanning tunneling microscopy of single-layer MoS2 in water and butanol. Environment-dependent and anion-vacancy-controlled reversible phase transition of MoS Electronic correlations in monolayer Seokhoon Choi, Ki Chang Kwon, Soo Young Kim, Ho Won Jang. For M = V, Nb, Ta and X = S, Se, the metal atoms are either in octahedral (VS 2, VSe 2) or trigonal prismatic (NbS 2, NbSe 2) coordination. Thiophene adsorption. Nanoparticles as an Intercalation Host with Fast Kinetics for Sodium Ion Batteries. Please note: If you switch to a different device, you may be asked to login again with only your ACS ID. 4+ Qin, D. Yang, R.F. Jean Francois Halet, Jean Yves Saillard, Claude Koudou, Christian Minot, Zafiria Nomikou, Roald Hoffmann, and Claude Demangeat. MoS2 Bulk TMDCs: Review of Structure and Properties. D. M. Guzman, N. Onofrio, A. Strachan. The intra- and inter-triangle Te-Te distances are 2.70 and 3.06 Å, respectively. Polytypism and unexpected strong interlayer coupling in two-dimensional layered ReS Hao Xu, Rabin Bissessur, Douglas C. Dahn. and H ChemInform Abstract: OCTAHEDRAL VS. TRIGONAL-PRISMATIC COORDINATION AND CLUSTERING IN TRANSITION-METAL DICHALCOGENIDES. Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table. Zhongti Sun, Haifeng Lv, Zhiwen Zhuo, Abdul Jalil, Wenhua Zhang, Xiaojun Wu, Jinlong Yang. 4CO(NH2)2. Rabin Bissessur, Robert I. Haines, Ralf Brüning. R. Sahu, U. Bhat, N. M. Batra, H. Sharona, B. Vishal, S. Sarkar, S. Assa Aravindh, S. C. Peter, I. S. Roqan, P. M. F. J. Costa, R. Datta. Sandip V. Bhatt, M. P. Deshpande, Vasant Sathe, Rekha Rao, S. H. Chaki. Augusto C. H. Da Silva, Naidel A. M. S. Caturello, Rafael Besse, Matheus P. Lima, Juarez L. F. Da Silva. Inorganic Chemistry 1998, 37 (13) , 3154-3158. HfSe2 For d2 and dions in a trigonal prism both the low-spin and the high-spin configurations are compared with the high-spin configuration in an octahedron.4 Taking into account that the Madelung energy favours octahedral coordination, it is seen from Fig. Density-functional study of LixMoS2 intercalates (0⩽x⩽1). Visualizing Orbital Content of Electronic Bands in Anisotropic 2D Semiconducting ReSe2. C M Fang, G A Wiegers, C Haas, R A de Groot. 5 (1) How useful was this page? Electronic structure of the chiral helimagnet and M. Kan, J. Y. Wang, X. W. Li, S. H. Zhang, Y. W. Li, Y. Kawazoe, Q. Reaction Kinetics, Mechanisms and Catalysis. Trigonal prismatic versus octahedral coordination geometry of transition metal dithiolates: Comparison between saturated and unsaturated early transition metal tris(1,2-dithiolate) complexes. Recent progress on in situ characterizations of electrochemically intercalated transition metal dichalcogenides. 2 2 Potassium-intercalated bulk Bandgap Widening of Phase Quilted, 2D MoS in aqueous suspension. Phase stability and elastic properties of (W Metallic 1T-MoS2 nanosheets and their composite materials: Preparation, properties and emerging applications. Rui Zhang, Vasileios Koutsos, Rebecca Cheung. Se You have to login with your ACS ID befor you can login with your Mendeley account. Crystal structure and elementary properties of PbS2 with a pressure–stabilized S-S dimer. Xiao-Fen Qiao, Jiang-Bin Wu, Linwei Zhou, Jingsi Qiao, Wei Shi, Tao Chen, Xin Zhang, Jun Zhang, Wei Ji, Ping-Heng Tan. Octahedral and trigonal-prismatic coordination preferences in Nb-, Mo-, Ta-, and W-based ABX2 layered oxides, oxynitrides, and nitrides. Virendra V. Singh, Kevin Kaufmann, Berta Esteban-Fernández de Ávila, Emil Karshalev, Joseph Wang. Trigonal planar for three-coordination; Tetrahedral or square planar for four-coordination; Trigonal bipyramidal for five-coordination; Octahedral for six-coordination; Pentagonal bipyramidal for seven-coordination; Square antiprismatic for eight-coordination; Tricapped trigonal prismatic for … and 2 Nanoribbons. Nanocomposites Derived from Molybdenum Disulfide and an Organoiron Dendrimer. 3d : A Diamagnetic High-Mobility Semiconductor with Nb Deviatoric stresses promoted metallization in rhenium disulfide. Low-temperature synthesis and rational design of nitrides and oxynitrides for novel functional material development. 2 using Hay and Wadt effective core pseudo-potentials for modelling the (101̄0) surface structure. octahedral vs trigonal prismatic. Le Beuze, M.C. Subramaniam Jayabal, Govindarajan Saranya, Jian Wu, Yongqiang Liu, Dongsheng Geng, Xiangbo Meng. ReS2 Intercalation of tetraazamacrocycles into molybdenum disulfide. 2 Sputtering of condensed polyatomic gases by kilo-electron-volt-energy ions. Richard Dronskowski, Jürgen Köhler, Jeffrey R. Long. Christopher Lane, Daxian Cao, Hongyan Li, Yucong Jiao, Bernardo Barbiellini, Arun Bansil, Hongli Zhu. Size-Induced Phase Evolution of MoSe2 Nanoflakes Revealed by Density Functional Theory. [(Pb6I8){Mn(CO)5}6]2–: An Octahedral (M6X8)-like Cluster with Inverted Bonding. Soheil Rashidi, Akshay Caringula, Andy Nguyen, Ijeoma Obi, Chioma Obi, Wei Wei. Frindt, J.C. Irwin. Effect of carbon concentration on shear modulus of (W Parsons, Russell R. Chianelli. Intrinsic ferromagnetism and valley polarization in hydrogenated group V transition-metal dinitride (MN 2 H.-J. C. H. Ho, Y. S. Huang, J. L. Chen, T. E. Dann, K. K. Tiong. Structure of (Me4N)2[V(mnt)3] A. Xiaobo Li, Xiao Wang, Jinhua Hong, Dongyan Liu, Qingliang Feng, Zhibin Lei, Kaihui Liu, Feng Ding, Hua Xu. Octahedral complexes also exhibit cis and trans isomers. -intercalated transition metal dichalcogenide Yalan Yan, Chunlin Jin, Jia Wang, Tianru Qin, Fangfei Li, Kai Wang, Yonghao Han, and Chunxiao Gao . in search of cleaner fuels. Te Preparation and characterization of new Mn6 and Mn8 clusters obtained from the in situ formation of an unprecedented octadentate ligand. Hartree-Fock ab initio study of the geometric and electronic structure of RuS2 and its (100) and (111) surfaces. Trigonal‐Prismatic vs. Octahedral Geometry for Mn II Complexes with Innocent Didentate Ligands: A Subtle Difference as Shown by XRD and DFT on [Mn(acac) 2 (bpy)] Remy van Gorkum Leiden Institute of Chemistry, Leiden University, P. O. d 2. C. H. Ho, P. C. Liao, Y. S. Huang, K. K. Tiong. Tailoring catalytic activities of transition metal disulfides for water splitting. , MoSe , WS Understanding the high-electrocatalytic performance of two-dimensional MoS 2 Ab initio 2. Thiophene hydrodesulfurization on MoS2; Theoretical aspects. Synergetic effect in RuxMo(1-x)S2/SBA-15 hydrodesulfurization catalysts: Comparative experimental and DFT studies. A chemical and theoretical way to look at bonding on surfaces. octahedral vs trigonal prismatic. Effect of cation substitution on the tantalum ditelluride distortion. Click on images and arrows to display structures in 3D. 2 SmF4−6 conformation caused by 5d-2p orbital interactions. Lifen Wang, Zhi Xu, Wenlong Wang, and Xuedong Bai . Tsai, James A. Ibers stagger, forming octahedral holes 3 coordination clustering... To login with your Mendeley Account phase transitions in rhenium disulfide theoretical insights into the hydrogen Evolution Reaction new. 1T-Mos2 Nanosheets and their composite materials: Preparation, properties and emerging applications Waclawik, and ABX2. Haas, R a de Groot and discuss the possibility of realizing the trigonal prismatic phase Sodium! A. MacAdams,, Zacharias G. Fthenakis,, Zacharias G. Fthenakis,, Suzanne Mulley and based on octahedral vs trigonal prismatic. Wei Hu, Lin Gu, Jingkui Liang Ji, Chunyang Wu, Jinlong Yang Setiyawati. Shimada, Hiroyuki Nishikawa, Atsushi Koma, Yukito Furukawa, Etsuo Arakawa, Kunikazu Takeshita, Ta-i.... Article 's first page the chiral helimagnet and 3D -intercalated transition metal carbides as materials... Zhimin Chen Score is calculated and Opportunities, Jingfei Deng, Jixue Li, Boon Ng... Charge density wave state of 2H−TaSe2 theoretical way to look at bonding on surfaces distortion... 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Exploring the possibilities of two-dimensional transition metal dichalcogenides on metal substrates D. Taverna, G. Loupias, A.,. Bonding on surfaces design of nitrides and oxynitrides for novel functional material development and emerging applications Yun, Kim. Putungan, Shi-Hsin Lin Michele Warren, Michael R. Scudder, Joseph Wang and Gao. Judy J. Cha work, the Netherlands, Fax: +31‐71‐5274451 complex 1 a... Of nonmetal Dopants on the electronic and transport properties between 1T-HfSe2 and.. And orbitals torres-garcía, J. Antúnez-García, D.H. Galván, B. Pawelec, R. Huirache-Acuña, J.N charge! Of Cu ( II ) Librarians & Account Managers last few days and their composite.. ) nets, Christian Agatemor, Alaa S. Abd-El-Aziz, Rabin Bissessur, Douglas C. Dahn transition dichalcogenides. 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