Superconducting TaH5 at high pressure by Hefei Li, Xue Li, Hui Wang, Guangtao Liu, Yinwei Li, Hanyu Liu

“…As a result of structure searches, we identified a stable TaH _5 compound under high pressure, which consists edge shared TaH _12 polyhedra. Remarkably, within Allen–Dynes modified McMillan equation, our predicted TaH _5 is a superconductor with superconducting critical temperature ( T _c ) of 18–23 K at 100 GPa.…”
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Subgrain Coalescence Simulation by Means of an Advanced Statistical Model of Inelastic Deformation by Nikita Kondratev, Peter Trusov, Andrej Podsedertsev, Matvej Baldin

“…For this purpose, a subgrain structure quite similar to the real structure was modeled using Laguerre polyhedra. Subgrain rotations were investigated using the developed model, which relies on the consideration of the excess density edge component of the same sign dislocations on incidental subgrain boundaries. …”
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Facet-Dependent Reactivity of Ceria Nanoparticles Exemplified by CeO₂-Based Transition Metal Catalysts: A Critical Review by Michalis Konsolakis, Maria Lykaki

“…The main implications of ceria nanoparticles’ shape engineering (rods, cubes, and polyhedra) in catalysis are next discussed, on the ground of some of the most pertinent heterogeneous reactions, such as CO₂ hydrogenation, CO oxidation, and N₂O decomposition. …”
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Ultralight crystalline hybrid composite material for highly efficient sequestration of radioiodine by Sahel Fajal, Writakshi Mandal, Arun Torris, Dipanjan Majumder, Sumanta Let, Arunabha Sen, Fayis Kanheerampockil, Mandar M. Shirolkar, Sujit K. Ghosh

“…Herein, utilizing unique hybridization synthetic strategy, a composite crystalline aerogel material has been fabricated by covalent stepping of an amino-functionalized stable cationic discrete metal-organic polyhedra with dual-pore containing imine-functionalized covalent organic framework. …”
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A Polar Tetragonal Tungsten Bronze with Colossal Second‐Harmonic Generation by Yunseung Kuk, Seong Bin Bae, Sang Mo Yang, Kang Min Ok

“…Single crystal and powder X‐ray diffraction indicate that the structure of Pb1.91K3.22□0.85Li2.96Nb10O30 crystallizing in the noncentrosymmetric (NCS) space group, P4bm, consists of 3D framework with highly distorted NbO6, LiO9, PbO12, and (Pb/K)O15 polyhedra. While NCS Pb1.91K3.22□0.85Li2.96Nb10O30 undergoes a reversible phase transition between polar (P4bm) and nonpolar (P4/mbm) structure at around 460 °C, the material decomposes to centrosymmetric Pb1.45K3.56Li3.54Nb10O30 (P4/mbm) once heated to 1200 °C. …”
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A Randomized Greedy Algorithm for Piecewise Linear Motion Planning by Carlos Ortiz, Adriana Lara, Jesús González, Ayse Borat

“…We develop and implement our algorithm by actually discretizing Macías-Virgós and Mosquera-Lois’ notion of homotopic distance, thus encompassing computer estimations of other sectional category invariants as well, such as the Lusternik-Schnirelmann category of polyhedra.…”
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Complexity of Molecular Nets: Topological Approach and Descriptive Statistics by Alexander M. Banaru, Sergey M. Aksenov

“…The molecular nets were derived from the molecular Voronoi–Dirichlet Polyhedra (VDP_mol). The values of the molecular coordination number (CN_mol) and critical coordination number (CN_crit) are discussed in relation with the complexity of the crystal structures. …”
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Chemical Bonding Effects and Physical Properties of Noncentrosymmetric Hexagonal Fluorocarbonates ABCO₃F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd) by Yuri Zhuravlev, Victor Atuchin

“…The hexagonal structures proved to consist of alternating ···B-CO₃··· and ···A-F··· layers in planes <i>ab</i>, interconnected along axis <i>c</i> by infinite chains ···F-B-F···, where cations formed polyhedra AO<i>_n</i>F₃ and BO<i>_m</i>F₂. …”
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Structure and microwave dielectric properties of Bi- and Ge-doped calcium molybdate by Zoya A. Mikhaylovskaya, Elena S. Buyanova, Sofia A. Petrova, Elizaveta A. Pankrushina, Alexander I. Malkin, Alexey N. Korotkov, Nikolay S. Knyazev

“…Raman spectroscopy detected the deformation of [BO4]2– polyhedra and changes in B–O bond length (B = Mo, Ge). …”
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Structural Modifications of Single-Crystal Aragonite CaCO₃ Beginning at ~15 GPa: In Situ Vibrational Spectroscopy and X-Ray Diffraction Evidence by Jing Gao, Yungui Liu, Xiang Wu, Xueyin Yuan, Yingxin Liu, Wen Su

“…Besides, the [CaO₉] polyhedra begin to deform, possibly with some Ca-O bonds becoming elongated and the others shortening. …”
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Giant Optical Anisotropy in a Covalent Molybdenum Tellurite via Oxyanion Polymerization by Tianhui Wu, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang

“…The dominant roles of the condensed polytellurite oxyanions [Te8O20]8− in combination with the [MoO6]6− polyhedra in achieving the giant birefringence in MTO are clarified by structural analysis and first‐principles calculations. …”
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Rapid prototyping of arbitrary 2D and 3D wireframe DNA origami by Jun, Hyungmin, Wang, Xiao, Parsons, Molly F, Bricker, William P, John, Torsten, Li, Shanshan, Jackson, Steve, Chiu, Wah, Bathe, Mark

“…Here, we introduce the open-source software package ATHENA with a graphical user interface that automatically renders single-stranded DNA scaffold routing and staple strand sequences for any target wireframe DNA origami using DX or 6HB edges, including irregular, asymmetric DX-based polyhedra with variable edge lengths and vertices demonstrated experimentally, which significantly expands the set of possible 3D DNA-based assemblies that can be designed. …”
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Tuning ZnSe/CoSe in MOF-derived N-doped porous carbon/CNTs for high-performance lithium storage by Jin, Jun, Zheng, Yun, Kong, Ling Bing, Srikanth, Narasimalu, Yan, Qingyu, Zhou, Kun

“…In this work, binary metal selenides (ZnSe/CoSe) encapsulated in N-doped carbon polyhedra interconnected with carbon nanotubes (denoted as ZCS@NC/CNTs) are prepared through a simple solution method, involving subsequent in situ pyrolysis and selenization of the metal–organic framework (MOF) precursor at moderate temperature. …”
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Mini-review on the novel synthesis and potential applications of carbazole and its derivatives by Xu, Zhichao, Wu, Di, Fang, Cong, Li, Yuanzhe

“…Carbazole and its derivatives have been studied extensively as Metal-Organic Polyhedra (MOPs) building blocks due to their unique structural features and versatile functionalization possibilities. …”
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Solid state synthesis, x-ray diffraction and scanning electron microscopy of rare-earth silicate apatite by Lim, Soo Min

“…AI position is shared by Nd and Sr, and AI O6 polyhedra are face-connected to be column structures which are linked to SiO4 tetrahedra forming continuous channels, proving both it feasible to incorporate Ytterbium or Neodymium with Sr into britholite apatite materials. …”
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On the reliability-order-based decoding algorithms for binary linear block codes by Tang, Yuansheng, Ling, San, Fu, Fang-Wei

“…It is known that the squared error-correction-radii of ROBDAs can be computed from the minimal squared Euclidean distances (MSEDs) between the all-one sequence and the polyhedra corresponding to the error patterns. For the computation of such MSEDs, we give a new method which is more compact than the one proposed by Fossorier and Lin. …”
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High-temperature redox chemistry of La1.5+xSr0.5-xCo0.5Ni0.5O4+delta (x=0.0, 0.2) studied in situ by neutron diffraction by Tonus, F, Greaves, C, El Shinawi, H, Hansen, T, Hernandez, O, Battle, P, Bahout, M

“…The temperature dependence of the atomic displacement parameters is consistent with the presence of local rotations of the anion-deficient coordination polyhedra. On heating the reduced x = 0.2 material in an O2 flow, the refilling of both the Oeq and Oint sites began at 200 °C and the stoichiometry of the original as-prepared sample was recovered by 250 °C. © 2011 The Royal Society of Chemistry.…”

Precise abstract interpretation of hardware designs by Mukherjee, R

“…The practical contribution instantiates ACDLS over a template polyhedra abstract domain for bounded safety verification of the software netlist designs. …”

Structures and magnetic ordering in the layered Cr oxide arsenides Sr2CrO2Cr2OAs2 and Sr2CrO3CrAs by Sheath, BC, Xu, X, Manuel, P, Hadermann, J, O’Sullivan, J, Bonilla, RS, Batuk, M, Clarke, SJ

“…However, in Sr2CrO2Cr2OAs2, both the Cr2+ moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Néel temperature slightly in excess of 600 K. …”

Relating mechanical properties and chemical bonding in an inorganic-organic framework material: a single-crystal nanoindentation study. by Tan, J, Furman, J, Cheetham, A

“…This can be attributed to the Ce-O-Ce chains that zigzag down the a-axis (Ce...Ce metal centers form an angle of approximately 132 degrees) and also the fact that the 9-coordinated CeO(9) polyhedra are expected to be geometrically more compliant. …”