Electronic Structure of Hydrogenated and Surface-Modified GaAs Nanocrystals: Ab Initio Calculations by Hamsa Naji Nasir, Mudar A. Abdulsattar, Hayder M. Abduljalil

“…This is attributed to the broken symmetry and surface passivating atoms that split surface degenerate states and adds new levels inside and around the valence band. …”
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A Simple Method for Patterning Nanoparticles on Planar Surfaces by Getachew Tizazu

“…This paper describes a simple method to pattern nanoparticles on planar surfaces using the antifouling property of poly(ethylene glycol) monolayers deposited from a solution on the native oxide of titanium. Atomic force microcopy was used to pattern the poly(ethylene glycol) monolayers producing protein active sites on the protein-resistant surface. …”
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Design of Pd-Based Bimetallic Catalysts for ORR: A DFT Calculation Study by Lihui Ou

“…The surface segregation energy of Pd is primarily determined by the surface energy and the atomic radius of M. The metals M which have smaller atomic radius and higher surface energy would tend to favor the surface segregation of Pd in corresponding Pd-M alloys.…”
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Engineering insights into heater design for oxygen reduction in CZ silicon growth by Amir Reza Ansari Dezfoli

“…With the optimal heater design, an oxygen reduction of 6 Ppma (parts per million atoms) was achieved by simply altering the heater design configuration.…”
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Assessment of TRACE CCFL Model with SBLOCA Experiment of IIST Facility by Jung-Hua Yang, Jong-Rong Wang, Hao-Tzu Lin, Chunkuan Shih

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Collective Modes of an Ultracold 6Li-40K Mixture in an Optical Lattice by Z. G. Koinov

“…A low-energy theory of the Nambu-Goldstone excitation spectrum and the corresponding speed of sound of an interacting Fermi mixture of Lithium-6 and Potassium-40 atoms in a two-dimensional optical lattice at finite temperatures with the Fulde-Ferrell order parameter has been formulated. …”
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Economic Viability of Metallic Sodium-Cooled Fast Reactor Fuel in Korea by S. K. Kim, W. I. Ko, Yoon Hee Lee

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Point-of-Care Based Electrochemical Immunoassay for Epstein-Barr Virus Detection by Miao Yu, Ming Liu, Yuan Li

“…First, a monolayer of 1,6-hexanedithiol (HDT) was fabricated on the screen-printed electrode surface by the interaction between sulfur atoms and SPE. AuNPs can be modified on the electrode by the Au-S bond formed between the HDT-free group and Au atom in AuNPs. …”
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Theoretical Study of the Chemical Properties and the Reaction Pathway of Decarbonylative Alkylative Esterification of Styrenes with Aliphatic Aldehydes by Meysam Madahi, Dadkhoda Ghazanfari, Sayed Ali Ahmadi

“…The localized orbital locator, electron location function analysis, and quantum theory of atoms in the molecule have been used to study the active sites for interactions between reactants. …”
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Thermal Energetic Reactor with High Reproduction of Fission Materials by Vladimir M. Kotov

“…On the base of thermal reactors with high fission materials reproduction world atomic power engineering development supplying higher power and requiring smaller speed of raw uranium mining, than in the variant with fast reactors, is possible.…”
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Atomistic Simulation of High-Density Uranium Fuels by Jorge Eduardo Garcés, Guillermo Bozzolo

“…The basic experimental features characterizing the real system are identified, via simulations and atom-by-atom analysis. These include (1) the trend indicating formation of interfacial compounds, (2) much reduced diffusion of Al into U-Mo solid solution due to the high Si concentration, (3) Si depletion in the Al matrix, (4) an unexpected interaction between Mo and Si which inhibits Si diffusion to deeper layers in the U-Mo solid solution, and (5) the minimum amount of Si needed to perform as an effective diffusion barrier. …”
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Electronic Structure and Room Temperature of 2D Dilute Magnetic Semiconductors in Bilayer MoS2-Doped Mn by Sintayehu Mekonnen Hailemariam

“…The magnetic interaction between the two manganese (Mn) atoms in BL MoS2 is always ferromagnetic (FM) irrespective of the spatial distance between them, but the strength of ferromagnetic interaction decays with atomic distance. …”
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Study of Hardness of Superhard Crystals by Topological Indices by Xiujun Zhang, Muhammad Naeem, Abdul Qudair Baig, Manzoor Ahmad Zahid

“…The aim of this paper is to study the hardness of some superhard BCx crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.…”
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Synthesis of a New Type of Trans-Decalin Vitamin D Analogue through a Dyotropic Ring Expansion by Hugo Santalla, Uxía Gómez-Bouzó, Irene Sánchez-Sanz, Yagamare Fall

“…A new vitamin D analogue with a trans-fused decalin as the CD-ring system and containing a sulphur atom in the side chain has been synthesized in our research group. …”
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The Theoretical Description for the Electrochemical Determination of Sucralose and Aspartame in Drinks by Volodymyr Tkach, Tetiana V. Morozova, Nataliia P. Shapovalova

“…Considering the accepting character of both sucralose chlorine atom and aspartame molecule, cathodic process is preferred. …”
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The Cu–Sn multilevel gradient heterogeneous interface interpenetrative growth mechanism and its regulation strategies by Yulu Ouyang, Yahui Liu, Guoshang Zhang, Tao Huang, Weiwei Lu, Dong Liu, Aikui Liu, Kexing Song

“…As the diffusion energy of Cu atoms diminishes, the interface undergoes self-stabilization, gradually evolving toward a more stable configuration.…”
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Molecular Dynamics Simulations of CO2 Molecules in ZIF-11 Using Refined AMBER Force Field by W. Wongsinlatam, T. Remsungnen

“…The site-site radial distribution functions and the molecular distribution plots simulations indicate that all hydrogen atoms are favored binding site of CO2 molecules. …”
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Transient pulsed discharge preparation of graphene aerogel supports asymmetric Cu cluster catalysts promote CO2 electroreduction by Kaiyuan Liu, Hao Shen, Zhiyi Sun, Qiang Zhou, Guoqiang Liu, Zhongti Sun, Wenxing Chen, Xin Gao, Pengwan Chen

“…The catalysts exhibit asymmetrical atomic and electronic structures due to lattice distortion and oxygen doping of copper clusters. …”
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Advance Chemical Mechanical Polishing Technique for Gallium Nitride Substrate by Xuanyi Zhao, Shouzhi Wang, Lei Liu, Qiubo Li, Jiaoxian Yu, Guodong Wang, Chang Liang, Zhongxin Wang, Han Hao, Xiangang Xu, Lei Zhang

“…The key issues in machining atomically flattened surface are outlined, and future strategies for sustainable development are also proposed. …”
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Mixed Ligand Complexes of N-Methyl-N-phenyl Dithiocarbamate: Synthesis, Characterisation, Antifungal Activity, and Solvent Extraction Studies of the Ligand by Anthony C. Ekennia, Damian C. Onwudiwe, Cyril Ume, Eno E. Ebenso

“…The infrared spectra showed that symmetrical bidentate coordination occurred with the dithiocarbamate moiety through the sulfur atoms, while neutral monodentate coordination occurred through the nitrogen atom for the pyridine molecule in the complexes. …”
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