Article
Materials Science, Multidisciplinary
Shuai Chen, Zachary H. Aitken, Subrahmanyam Pattamatta, Zhaoxuan Wu, Zhi Gen Yu, Rajarshi Banerjee, David J. Srolovitz, Peter K. Liaw, Yong-Wei Zhang
Summary: Experimental observations on two high-entropy alloys (HEAs) show that differences in chemical-affinity disparity and exclusivity among constituent elements lead to different clustering behaviors. Strong atomic segregation and short-range ordering in HEAs are influenced by large chemical-affinity disparities and high chemical-element exclusivity in clusters of different energy levels.
Article
Chemistry, Physical
William C. Witt, Cas van der Oord, Elena Gelzinyte, Teemu Jarvinen, Andres Ross, James P. Darby, Cheuk Hin Ho, William J. Baldwin, Matthias Sachs, James Kermode, Noam Bernstein, Gabor Csanyi, Christoph Ortner
Summary: We introduce ACEpotentials.jl, a Julia-language software package that constructs interatomic potentials from quantum mechanical reference data using the Atomic Cluster Expansion. The resulting potentials are systematically improvable and data efficient. The expressiveness of the descriptor enables the use of a linear model for rapid evaluation and straightforward application of Bayesian techniques for active learning. We demonstrate the strengths of ACEpotentials.jl (simplicity, interpretability, robustness, performance) on a selection of prototypical atomistic modelling workflows.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Shao-Yu Yuan, Li -Wen Jiang, Jin-Song Hu, Hong Liu, Jian-Jun Wang
Summary: In this article, we report an effective strategy for implanting fully dispersed iridium-oxide atomic clusters onto hematite, which significantly improves the photoelectrochemical water oxidation in acidic solution. The resulting photoanode achieves a record-high photocurrent of 1.35 mA cm-2 at 1.23 V, demonstrating the merits of high atomic utilization of Ir.
Article
Instruments & Instrumentation
Scott Beattie, Bin Jian
Summary: The collisional frequency shift is a dominant contributor to the uncertainty of caesium fountain clocks. Lowering atomic density can reduce the effect but also affects the signal-to-noise ratio. This paper describes a direct measurement of atomic density using absorption imaging, which has resulted in a 10-fold reduction in uncertainty due to collisional shift for the NRC-FCs2 caesium fountain clock.
Article
Astronomy & Astrophysics
Wenbin Zhao, Kai-jia Sun, Che Ming Ko, Xiaofeng Luo
Summary: By studying the multiplicity dependence of deuteron and triton production in different collision models and energies, a scaling behavior of the ratio of proton, deuteron, and triton yields with increasing charged particle multiplicity is observed, which can be explained by the interaction between the sizes of light nuclei and the nucleon emission source.
Article
Chemistry, Physical
Handing Liu, Ziliang Chen, Lin Zhou, Han Man, Qingwen Zeng, Ke Pei, Guanyu Chen, Qinchao Wang, Yun Song, Xunlu Li, Yongning Zhou, Fang Fang, Jizi Liu, Dalin Sun, Renchao Che
Summary: An atomic engineering strategy was proposed to construct a sulfur host to suppress the dissolution of intermediate polysulfides and accelerate their conversion, achieving high performance in terms of high capacity and long cycle life in lithium-sulfur batteries.
ENERGY STORAGE MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Bradley Russell-Webster, Javi Lopez-Nieto, Khalil A. Abboud, George Christou
Summary: A new synthetic procedure has been developed to obtain Ce100O167 nanoparticles, which have a core more akin to the smallest ceria nanoparticles, with a size of 2.4 nm and high D-2d symmetry.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Yu-Jin Li, Yu-Jie Hao, Ke Jiang, Lu Zeng, Feng-Yue Sun
Summary: Ga-doped magnesium mineral based on atomic cluster level were studied using CALYPSO and density functional theory. Tetrahedral-like and pyramidal-like structures were found to be seeds for the growth of GaMg8 cluster. Relative stability calculations showed that GaMg8 cluster possessed the most robust stability. Natural charge population, electron configuration, and chemical bond properties of each atom in each ground state cluster were investigated. In addition, the infrared, Raman, and UV-vis spectra of GaMg8- cluster and its excited state properties were specially studied using NTO analysis.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Yuri Ralchenko
Summary: Atomic spectroscopy and atomic physics research play a significant role in the Journal of Physical and Chemical Reference Data (JPCRD), providing essential information for plasma physics, astrophysics, and other fields.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
(2022)
Article
Engineering, Aerospace
Quan Han, Ying Liu, Zhongwu Li, Yan Zhang, Yunfei Chen
Summary: This study investigates the energy accommodation coefficient (EAC) between a hypersonic flying vehicle and its front shock waves, and finds that it strongly depends on the vehicle's flying velocity. The research provides a rule for the optimal design of an efficient thermal protection system.
AEROSPACE SCIENCE AND TECHNOLOGY
(2022)
Article
Chemistry, Physical
Yanhui Yu, Peng Rao, Suyang Feng, Min Chen, Peilin Deng, Jing Li, Zhengpei Miao, Zhenye Kang, Yijun Shen, Xinlong Tian
Summary: Environmentally friendly energy storage and conversion technologies, like metal-air batteries and fuel cells, are considered promising solutions to address environmental concerns. The oxygen reduction reaction (ORR) is crucial for renewable energy conversion and plays a significant role. However, the complex process of the ORR limits its kinetics. This study proposes a method to fabricate a Co cluster-decorated catalyst, which exhibits improved ORR performance and shows potential as an alternative to Pt catalysts.
ACTA PHYSICO-CHIMICA SINICA
(2023)
Article
Chemistry, Physical
Xi-Ming Luo, Chun-Hua Gong, Xi-Yan Dong, Lei Zhang, Shuang-Quan Zang
Summary: This study controlled the size of the titanium organic cage to achieve restricted growth from a single Ag(I) atom to a rare all-carboxylate-protected superatomic Ag cluster. The study provides a new form of protection for superatomic Ag clusters and a feasible strategy for the development of stable Ag clusters.
Article
Chemistry, Physical
Linlin Wang, Jiangyong Diao, Mi Peng, Yunlei Chen, Xiangbin Cai, Yuchen Deng, Fei Huang, Xuetao Qin, Dequan Xiao, Zheng Jiang, Ning Wang, Ting Sun, Xiaodong Wen, Hongyang Liu, Ding Ma
Summary: Direct dehydrogenation of alkanes poses a significant challenge in activating C-H bonds at low temperatures. This study reports fully exposed Pd clusters on a hybrid nanodiamond-graphene support for efficient dehydrogenation of ethylbenzene to styrene, demonstrating superior catalytic performance and stability compared to previous catalysts. The synergetic interaction between adjacent Pd atoms in each cluster enables effective activation of C-H bonds on ethyl, leading to higher activity than typical Pd single atom and Pd nanoparticle catalysts.
Article
Chemistry, Physical
Yi Shen, Jingyi Yang, Chao Zhu, Qile Fang, Shuang Song, Baoliang Chen
Summary: In this study, covalent triazine frameworks (CTFs) anchored by Ni single atoms, Ni clusters, and NiO nanoparticles were successfully constructed as reaction platforms. The results showed that Ni-AC/CTF exhibited the highest adsorption capacity and the fastest reaction kinetics for BP-2 and RhB, respectively. The interaction between Ni atoms in the atomic clusters in Ni-AC/CTF was found to cause benzene ring distortion in pollutant molecules, further promoting the ring cleavage reaction and improving electron delocalization and transport, which synergistically enhanced the aromatic pollutant removal performance.
Article
Engineering, Environmental
Deli Chen, Ziang Su, Wenzhe Si, Yakun Qu, Xiaoguang Zhao, Hao Liu, Yu Yang, Yu Wang, Yue Peng, Jianjun Chen, Junhua Li
Summary: Through electron interaction and anchoring effect, we synthesized a superior Cu/CeO2 catalyst with Cu atomic clusters, achieving high atomic exposure and unit atomic activity simultaneously. The catalyst achieves a 90% CO conversion at 130 degrees C, comparable to noble-metal catalysts. Our work may enlighten future research on industrial gaseous pollutant removal by providing a superior atomic cluster catalyst and uncovering the catalytic oxidation mechanism of Cu-Ce dual-active sites.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Optics
Kaspar Haume, Pablo de Vera, Alexey Verkhovtsev, Eugene Surdutovich, Nigel J. Mason, Andrey V. Solov'yov
EUROPEAN PHYSICAL JOURNAL D
(2018)
Editorial Material
Optics
Victor G. Bezchastnov, Andrei V. Korol, Andrey V. Solov'yov
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2018)
Article
Instruments & Instrumentation
H. Shen, Q. Zhao, F. S. Zhang, Gennady B. Sushko, Andrei V. Korol, Andrey V. Solov'yov
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
(2018)
Article
Optics
Pablo de Vera, Eugene Surdutovich, Nigel J. Mason, Fred J. Currell, Andrey V. Solov'yov
EUROPEAN PHYSICAL JOURNAL D
(2018)
Article
Chemistry, Physical
Alberto Fraile, Maeve Smyth, Jorge Kohanoff, Andrey V. Solov'yov
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Biology
J. Schuemann, A. L. McNamara, J. W. Warmenhoven, N. T. Henthorn, K. J. Kirkby, M. J. Merchant, S. Ingram, H. Paganetti, K. D. Held, J. Ramos-Mendez, B. Faddegon, J. Perl, D. T. Goodhead, I Plante, H. Rabus, H. Nettelbeck, W. Friedland, P. Kundrat, A. Ottolenghi, G. Baiocco, S. Barbieri, M. Dingfelder, S. Incerti, C. Villagrasa, M. Bueno, M. A. Bernal, S. Guatelli, D. Sakata, J. M. C. Brown, Z. Francis, I Kyriakou, N. Lampe, F. Ballarini, M. P. Carante, M. Davidkova, V Stepan, X. Jia, F. A. Cucinotta, R. Schulte, R. D. Stewart, D. J. Carlson, S. Galer, Z. Kuncic, S. Lacombe, J. Milligan, S. H. Cho, G. Sawakuchi, T. Inaniwa, T. Sato, W. Li, A. Solov'yov, E. Surdutovich, M. Durante, K. M. Prise, S. J. McMahon
RADIATION RESEARCH
(2019)
Article
Biochemical Research Methods
Gennady B. Sushko, Ilia A. Solov'yov, Andrey V. Solov'yov
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2019)
Article
Optics
Alexander Pavlov, Andrei Korol, Vadim K. Ivanov, Andrey Solov'yov
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2019)
Editorial Material
Optics
Alexey Verkhovtsev, German Rojas-Lorenzo, Jesus Rubayo-Soneira, Andrey V. Solov'yov
EUROPEAN PHYSICAL JOURNAL D
(2019)
Article
Optics
Pablo de Vera, Alexey Verkhovtsev, Gennady Sushko, Andrey V. Solov'yov
EUROPEAN PHYSICAL JOURNAL D
(2019)
Article
Optics
Eugene Surdutovich, Andrey Solov'yov
EUROPEAN PHYSICAL JOURNAL D
(2019)
Article
Optics
Alexander Pavlov, Andrei Korol, Vadim K. Ivanov, Andrey Solov'yov
EUROPEAN PHYSICAL JOURNAL D
(2020)
Review
Oncology
Eugene Surdutovich, Andrey Solov'yov
CANCER NANOTECHNOLOGY
(2019)
Review
Oncology
Pablo de Vera, Eugene Surdutovich, Andrey V. Solov'yov
CANCER NANOTECHNOLOGY
(2019)
Article
Oncology
Alexey Verkhovtsev, Eugene Surdutovich, Andrey Solov'yov
CANCER NANOTECHNOLOGY
(2019)
