The role of manganese in CoMnOx catalysts for selective long-chain hydrocarbon production via Fischer-Tropsch synthesis by Hao Chen, Zan Lian, Xiao Zhao, Jiawei Wan, Priscilla F. Pieters, Judit Oliver-Meseguer, Ji Yang, Elzbieta Pach, Sophie Carenco, Laureline Treps, Nikos Liakakos, Yu Shan, Virginia Altoe, Ed Wong, Zengqing Zhuo, Feipeng Yang, Ji Su, Jinghua Guo, Monika Blum, Saul H. Lapidus, Adrian Hunt, Iradwikanari Waluyo, Hirohito Ogasawara, Haimei Zheng, Peidong Yang, Alexis T. Bell, Núria López, Miquel Salmeron

“…Employing TEM and in-situ X-ray spectroscopies (XRD, APXPS, and XAS), we determine the catalyst’s atomic structure, chemical state, reactive species, and their evolution under FTS conditions. …”
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Effects of CdS Buffer Layers on Photoluminescence Properties of Cu2ZnSnS4 Solar Cells by A. Le Donne, S. Marchionna, P. Garattini, R. A. Mereu, M. Acciarri, S. Binetti

“…The obtained results suggest that, as in the case of Cu(In, Ga)Se2, Cd atoms passivate point defects at the absorber/buffer layer interface also in CZTS.…”
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Organotin Compound Derived from 3-Hydroxy-2-formylpyridine Semicarbazone: Synthesis, Crystal Structure, and Antiproliferative Activity by Joanna Wiecek, Dimitra Kovala-Demertzi, Zbigniew Ciunik, Joanna Wietrzyk, Maria Zervou, Mavroudis A. Demertzis

“…Two carbon atoms complete the fivefold coordination at the tin(IV) center. …”
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Spontaneous curvature in two-dimensional van der Waals heterostructures by Yuxiang Gao, Fenglin Deng, Ri He, Zhicheng Zhong

“…Yet interfaces in heterostructures inevitably break bulk symmetry and structural continuity, resulting in delicate atomic rearrangements and novel electronic structures. …”
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Deep-learning-assisted reconfigurable metasurface antenna for real-time holographic beam steering by Ma Hyunjun, Kim Jin-Soo, Choe Jong-Ho, Park Q-Han

“…An array of reconfigurable dipoles can generate on-demand far-field patterns of radiation through the specific encoding of meta-atomic states i.e., the configuration of each dipole. …”
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Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobal... by Ekaterina Kinshakova, Batirbay Torambetov, Simranjeet Kaur, Jamshid Ashurov, Shakhnoza Kadirova

“…In the monoclinic crystals (space group P21/c), the cobalt(II) ion is located about a centre of symmetry and is octahedrally coordinated by two L− anions in a monodentate fashion through carboxyl O atoms and by four water molecules. A relatively strong hydrogen bond between one of the water molecules and the non-coordinating carboxylate O atom consolidates the conformation. …”
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Roles of doping in enhancing the performance of graphene/graphene-like semiconductors by Yuqi Zhou, Xinbo He, Mengyang Li

“…This paper reviews various doping types and their impacts on graphene, emphasizing the effects of boron (B) doping, nitrogen (N) doping, oxygen-group doping, other non-metallic atom or atomic pair doping, and metallic doping. …”
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An impermeable copper surface monolayer with high-temperature oxidation resistance by Su Jae Kim, Young-Hoon Kim, Bipin Lamichhane, Binod Regmi, Yousil Lee, Sang-Hyeok Yang, Seon Je Kim, Min-Hyoung Jung, Jae Hyuck Jang, Hu Young Jeong, Miaofang Chi, Maeng-Je Seong, Hak Soo Choi, Seong-Gon Kim, Young-Min Kim, Se-Young Jeong

“…This oxidation resistance, facilitated by the impermeable atomic monolayer, opens promising opportunities for researchers and industries to overcome limitations associated with the use of oxidizable metal films.…”
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Synthesis and Crystal Structure of the Bioinorganic Complex [Sb(Hedta)]·2H2O by Di Li, Guo-Qing Zhong

“…The Sb(III) ion is five-coordinated by two amido N atoms and three carboxyl O atoms from a single Hedta3− ligand, forming a distorted trigonal bipyramid geometry. …”
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The Bonding Mechanism and Experimental Verification of Pilger Hot Rolling Clad Tube by Zonglin He, Zhibing Chu, Yuanhua Shuang, Yujun Gou

“…The research shows that the diffusion ability of carbon atoms mainly depends on the degree of the plastic strain in the stainless steel hot rolling process; there is positive correlation between the thickness of bonding carburized layer and the dislocation density produced by plastic deformation of stainless steel. …”
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Crystal structure of Au-pseudocarbyne(C6) by Jun Wu, Pilarisetty Tarakeshwar, Scott G. Sayres, Moreno Meneghetti, Hyunsub Kim, Juan Barreto, Peter R. Buseck

“…Here we report the crystal structure of a Au-pseudocarbyne, a representative of a possible new family of materials consisting of sp-hybridized carbon chains and stabilizing metal atoms. Au-pseudocarbyne(C6), the representative pseudocarbyne containing six-membered carbon chains, has space group P6/mmm191 and unit-cell parameters a = b = 0.60 nm, c = 0.896 nm, α = β = 90°, γ = 120°. …”
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Ab-initio trained machine learning potential for MAX compound Ti2AlC: construction, validation, and study of non linear elasticity by Aishwaryo Ghosh, Amitava Moitra, Tanusri Saha-Dasgupta

“…Finally, applying machine learned potential in classical molecular dynamics provides a faithful representation of the experimentally observed nonlinear elasticity for Ti _2 AlC. The generated atomic configurations confirm the proposal of formation of ripplocations which allow atomic layers to glide relative to each other without breaking the in-plane bonds. …”
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Cross-scale covariance for material property prediction by Benjamin A. Jasperson, Ilia Nikiforov, Amit Samanta, Fei Zhou, Ellad B. Tadmor, Vincenzo Lordi, Vasily V. Bulatov

“…Here we explore covariance between predictions of metal plasticity, from 178 large-scale (~108 atoms) molecular dynamics (MD) simulations, and a variety of indicator properties computed at small-scales (≤102 atoms). …”
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Molecular Dynamics Investigation of the Mechanical Properties of Germanium Reinforced with Iron Nanoparticles at Different Speeds by Majid Samadiyan, Masoud Ajri

“…These interactions made the bonds between the atoms of germanium stronger, and the Young's modulus and ultimate stress of germanium reached 119 and 24 GPa, which were 10 and 9% better than pure germanium, respectively. …”
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Protein and Metalloprotein Distribution in Different Varieties of Beans (Phaseolus vulgaris L.): Effects of Cooking by Aline P. Oliveira, Geyssa Ferreira Andrade, Bianca S. O. Mateó, Juliana Naozuka

“…The total concentration of proteins was determined by Bradford method; Cu and Fe associated with phaseolin and other proteins were obtained by graphite furnace atomic absorption spectrometry and by flame atomic absorption spectrometry, respectively. …”
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Book review: Shock-Induced Chemistry by Toshimori Sekine by Youjun Zhang

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Recent Developments in the Speciation and Determination of Mercury Using Various Analytical Techniques by Lakshmi Narayana Suvarapu, Sung-Ok Baek

“…This paper reviews the speciation and determination of mercury by various analytical techniques such as atomic absorption spectrometry, voltammetry, inductively coupled plasma techniques, spectrophotometry, spectrofluorometry, high performance liquid chromatography, and gas chromatography. …”
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NANOSTRUCTURAL PROCESSES OF MELTING, CRYSTALLIZATION AND MODIFYINGS OF METALS by V. Yu. Stetsenko

“…It is shown that melting, crystallization and modifying of metals are difficult nanostructural processes. The nanocrystals and atoms of metals, the centers of crystallization of dendrites, surface-active elements, gases modifying elements, poorly soluble impurity elements in solid metal generally participate in these processes. …”
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Extracting rates and activation free energies of martensitic transitions using nanomechanical force statistics: theory, models, and analysis by Arijit Maitra, M. P. Gururajan

“…Extensive sampling of the critical forces was performed using nonequilibrium molecular dynamics simulations of an atomic model of single-crystalline titanium nickel. …”
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Effect of Deposit on the Evaporation Rate of Adhered Salt in Uranium Dendrite by Sang Woon Kwon, Si Woo Park, Sung Jai Lee

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