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Mechanochemical carbon dioxide capture and conversion

Nature Nanotechnology 2025年 1-7页

作者： Guan, Runnan Sheng, Li Li, Changqing Gu, Jiwon Seo, Jeong-Min Jang, Boo-Jae Kim, Seung-Hyeon Kim, Jiwon Lim, Hankwon Li, Qunxiang Baek, Jong-Beom Department of Energy and Chemical Engineering Center for Dimension-Controllable Organic Frameworks Ulsan National Institute of Science and Technology Ulsan South Korea Hefei National Research Center for Physical Sciences at the Microscale Department of Chemical Physics University of Science and Technology of China Hefei China Department of Energy and Chemical Engineering Carbon Neutrality Demonstration and Research Center Graduate School of Carbon Neutrality Ulsan National Institute of Science and Technology Ulsan South Korea

Developing a direct carbon dioxide (CO2) capture and methanation method is one of the most important challenges to achieving carbon neutrality. However, converting CO2 into methane (CH4) kinetically requires the activation of stable CO2 at high temperatures (300–500 °C), while the CO2-to-CH4 conversion thermodynamically favours low temperatures. Here we report an efficient mechanochemical CO2 capture and conversion under mild conditions (65 °C). Using commercial zirconium oxide (ZrO2) and nickel catalysts, the mechanochemical CO2 capture capacity was 75-fold higher than the conventional thermochemical process. The mechanochemical CO2 conversion reached a nearly quantitative CO2 conversion (99.2%) with CH4 selectivity (98.8%). We determined that repeatedly induced abundant oxygen vacancies on ZrO2 by dynamic mechanical actions are responsible for efficient CO2 capture and, thus, subsequently spontaneous methanation.

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Describing the Migdal effect with a bremsstrahlung-like process and many-body effects

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physical Review D 2021年第5期104卷 056009-056009页

作者： Zheng-Liang Liang Chongjie Mo Fawei Zheng Ping Zhang College of Mathematics and Physics Beijing University of Chemical Technology Beijing 100029 China Beijing Computational Science Research Center Beijing 100193 China Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE) School of Physics Beijing Institute of Technology Beijing 100081 China School of Physics and Physical Engineering Qufu Normal University Qufu 273165 China Institute of Applied Physics and Computational Mathematics Beijing 100088 China

Recent theoretical studies have suggested that the suddenly recoiled atom struck by dark matter (DM) particle is much more likely to excite or lose its electrons than expected. Such Migdal effect opens a new avenue for exploring the sub-GeV DM particles. There have been various attempts to describe the Migdal effect in liquid and semiconductor targets. In this paper we incorporate the treatment of the bremsstrahlung process and the electronic many-body effects to give a full description of the Migdal effect in bulk semiconductor targets diamond and silicon. Compared with the results obtained with the atom-centered localized Wannier functions (WFs) under the framework of the tight-binding (TB) approximation, the method proposed in this study yields much larger event rates in the low energy regime, due to a ω−4 scaling. We also find that the effect of the bremsstrahlung photon mediating the Coulomb interaction between recoiled ion and the electron-hole pair is equivalent to that of the exchange of a single phonon.

关键词： Particle dark matter Dark matter detectors Density functional calculations

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Preparation of Highly Efficient 3d Bioi Microspheres for Visible-Light-Induced Photocatalytic Degradation of Tetracycline

SSRN

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SSRN 2023年

作者： Zhang, Saifeng Duan, Huimei Zhang, Rui Zhu, Qiuyu Wang, Chu Sun, Xiao Li, Yangyang Liu, Yuanxu Xu, Leiming Institute of Pharmaceutics Anhui Academy of Chinese Medicine School of Pharmacy Anhui University of Chinese Medicine Hefei230012 China School of Environmental Science and Engineering State Key Laboratory of Bio-fibers and Eco-textiles Institute of Marine Biobased Materials Qingdao University Qingdao266071 China Hefei National Laboratory for Physical Sciences at the Microscale Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes Department of Chemical Physics University of Science and Technology of China Hefei230026 China Anhui Institute for Food and Drug Control Hefei230012 China

With the development of pharmaceuticals industry, using semiconductor photocatalysts for antibiotic wastewater treatment has received wide attention. Herein, BiOI photocatalysts were prepared by one-step solvothermal method and the visible light drove tetracycline (TC) degradation activity were compared. The preparation conditions like temperature, time and pH were adjusted, and the physicochemical properties were characterized. The investigation results indicated that, pH value has very significant effect on geometric and electronic structure of BiOI, and the optimized catalysts present as more regular 3D flower-like microspheres, which are composed with many nanoplates that mainly exposing with (001) facet. The choosing catalysts also possess larger surface area and better photogenerated electron-hole pairs separation efficiency, and present superior degradation efficiency (73.6 %). The cycling experiments evidenced that the catalysts have good stability and reusability. The active species were investigated by trapping experiments, and revealed that •O2- plays a major role in the photodegradation process. © 2023, The Authors. All rights reserved.

关键词： Bismuth compounds

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Brownian motion of snowman-shaped colloidal particles

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Journal of chemical physics 2025年第21期162卷 214903页

作者： Liu, Man Yi, Wendi Wang, Huaguang Zhang, Zexin College of Chemistry Chemical Engineering and Materials Science Soochow University Suzhou215123 China Institute for Advanced Study Center for Soft Condensed Matter Physics and Interdisciplinary Research School of Physical Science and Technology Soochow University Suzhou215006 China

We investigate the Brownian motion of isolated snowman-shaped particles consisting of pairs of large and small spheres by video microscopy. Our observations reveal that the particle exhibits varying degrees of anisotropic translational diffusion depending on the reference point used for tracking. In particular, when tracking the snowman’s geometrical center, the diffusion coefficient along the particle’s long axis (Da) is greater than that along the short axis (Db). When tracking the large sphere’s center, Da and Db are identical, while tracking the small sphere’s center results in Da being smaller than Db. Since Da remains constant across these geometrical centers, the higher Db thus leads to the fastest diffusion for the small sphere’s center. These differences in diffusion arise from the varying coupling between translational and rotational motions, determined by the tracking points relative to the center of hydrodynamic stress (CoH). The CoH has been experimentally confirmed to be the geometrical center of the snowman-shaped particle. Our findings are consistent with the Langevin theory for the Brownian motion of anisotropic particles. © 2025 Author(s).

关键词： Geometry

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Preparation of Bowl-Shaped Colloids for Selective Capture and Magnetically-Directed Transport of Bacteria

SSRN

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SSRN 2025年

作者： Dong, Xuan Ren, Sihua Lu, Yeting Pan, Xu Wang, Huaguang Zhang, Zexin College of Chemistry Chemical Engineering and Materials Science Soochow University Suzhou215123 China Institute for Advanced Study Center for Soft Condensed Matter Physics and Interdisciplinary Research School of Physical Science and Technology Soochow University Suzhou215006 China

Traditional antimicrobial strategies usually indiscriminately target both harmful and beneficial microorganisms, leading to the development of microbial resistance and reducing bactericidal efficacy. Therefore, the pressing challenge lies in the precise and efficient targeting and elimination of pathogenic microorganisms, while minimizing the development of drug resistance, and ensuring the prompt transportation of neutralized microorganisms to prevent further growth and proliferation. In this study, we propose an innovative antimicrobial approach by designing and preparing magnetic, bowl-shaped colloids for bacterial capture and transport. The colloids were found to capture S. aureus of a complementary shape and size when depletion agents are presented. In addition, due to the magnetic components, these colloids enable directional movement and transport of bacteria under a magnetic field, thereby achieving decontamination and antibacterial functions. This study underscores the potential of these bowl-shaped colloids for targeted capture, controlled transportation, and efficient elimination of bacteria, highlighting the unique promise of anisotropic colloids in developing new antimicrobial strategies. © 2025, The Authors. All rights reserved.

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Pressured-induced superconductivity extending across the topological phase transition in thallium-based topological materials TlBi(S1-xSex)2

arXiv

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arXiv 2022年

作者： Pei, Cuiying Huang, Peihao Zhu, Peng Liu, Linlin Wang, Qi Zhao, Yi Gao, Lingling Li, Changhua Cao, Weizheng Lv, Jian Li, Xiang Wang, Zhiwei Yao, Yugui Yan, Binghai Felser, Claudia Chen, Yulin Liu, Hanyu Qi, Yanpeng School of Physical Science and Technology ShanghaiTech University Shanghai201210 China State Key Laboratory of Superhard Materials International Center for Computational Method and Software College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China School of Physics Beijing Institute of Technology Beijing100081 China Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems Beijing Institute of Technology Beijing100081 China Material Science Center Yangtze Delta Region Academy of Beijing Institute of Technology Jiaxing314011 China ShanghaiTech Laboratory for Topological Physics ShanghaiTech University Shanghai201210 China Department of Condensed Matter Physics Weizmann Institute of Science Rehovot7610001 Israel Max Planck Institute for Chemical Physics of Solids Dresden01187 Germany Department of Physics Clarendon Laboratory University of Oxford Parks Road OxfordOX1 3PU United Kingdom Shanghai Key Laboratory of High-resolution Electron Microscopy ShanghaiTech University Shanghai201210 China

The coexistence of superconductivity and topology holds the potential to realize exotic quantum states of matter. Here we report that superconductivity induced by high pressure in three thallium-based materials, covering the phase transition from a normal insulator (TlBiS2) to a topological insulator (TlBiSe2) through a Dirac semimetal (TlBiSeS). By increasing the pressure up to 60 GPa, we observe superconductivity phase diagrams with maximal Tc values at 6.0~8.1 K. Our density-functional theory calculations reveal topological surface states in superconductivity phases for all three compounds. Our study paves the path to explore topological superconductivity and topological phase transitions. © 2022, CC BY-NC-ND.

关键词： Topology

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Electric Field Emission in GdNiO3 Microflower

SSRN

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SSRN 2024年

作者： Karmakar, Subrata Parey, Vanshree Mistari, Chetan D. Hamid, Md Abdul Emu, Injamamul Hoque Halim, Md Abdul Sanyal, Gopal Chakraborty, Brahmananda More, M.A. Droopad, Ravi Haque, Ariful Electrical Engineering Ingram School of Engineering Texas State University San MarcosTX78666 United States Institute of Chemical Research of Catalonia The Barcelona Institute of Science and Technology Av. Països Catalans 16 Tarragona43007 Spain Department of Physics Savitribai Phule Pune University Maharashtra Pune411007 India Mechanical Metallurgy Division Bhabha Atomic Research Centre Trombay Mumbai400085 India High Pressure and Synchrotron Radiation Physics Division Bhabha Atomic Research Centre Trombay Mumbai400085 India Homi Bhabha National Institute Anushaktinagar Mumbai400094 India Materials Science Engineering & Commercialization Program Texas State University San MarcosTX78666 United States

GdNiO3 microflowers were synthesized by hydrothermal method with unit sizes of about 2.2-3.5 μm and petal sizes of ~75-100 nm. The X-ray diffraction pattern (XRD) and Raman spectra reveal an orthorhombic crystal structure with the space group Pbnm and various Raman active vibrational modes i.e., Ag, B1g, B2g associated with rare earth nickelates. The total density of states (TDOS) was calculated by density functional theory (DFT) study using a hybrid functional (HSE06) and the volume of TDOS near the Fermi level confirms the semiconducting nature of GdNiO3 with band gap ~0.688 eV. The local bulk work function (φ) was estimated theoretically at ~5.35 eV from DFT calculations which is one of the essential parameters for the field enhancement factor (β). Field emission current density (J) vs. applied electric field (E) divulges a low turn-on field (Eto)~4.6 V/μm@1 μA/cm2 and a threshold field (Eth)~5.2 V/μm@10 μA/cm2 respectively. The Fowler-Nordheim (F-N) model was introduced to calculate β ~1637 and long-term field emission current stability was observed experimentally > 4 h at the preset values of current 2 μA and 10 μA, respectively. The easy preparedness, low turn-on field, and long-term current stability without significant decay suggest this material to be an efficient electron field emitting material in the rare-earth nickelates series. © 2024, The Authors. All rights reserved.

关键词： Rare earths

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Phase amplification in spinodal decomposition of immiscible fluids with interconversion of species

arXiv

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arXiv 2021年

作者： Shumovskyi, Nikolay A. Longo, Thomas J. Buldyrev, Sergey V. Anisimov, Mikhail A. Department of Physics Boston University BostonMA02215 United States Institute for Physical Science and Technology University of Maryland College ParkMD20742 United States Department of Physics Yeshiva University New YorkNY10033 United States Department of Physics Boston University MA02215 United States Department of Chemical and Biomolecular Engineering Institute for Physical Science and Technology University of Maryland College ParkMD20742 United States

A fluid composed of two molecular species may undergo phase segregation via spinodal decomposition. However, if the two molecular species can interconvert, e.g. change their chirality, then a phenomenon of phase amplification, which has not been studied so far, emerges. As a result, eventually, one phase will completely eliminate the other one. We model this phenomenon on an Ising system which relaxes to equilibrium through a hybrid of Kawasaki-diffusion and Glauber-interconversion dynamics. By introducing a probability of Glauber-interconversion dynamics, we show that the particle conservation law is broken, thus resulting in phase amplification. We characterize the speed of phase amplification through scaling laws based on the probability of Glauber dynamics, system size, and distance to the critical temperature of demixing. © 2021, CC BY-NC-ND.

关键词： Spinodal decomposition

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Electrochemical detection of antimalarial drug (Amodiaquine) using Dy-MOF@MWCNTs composites to prevent erythrocytic stages of plasmodium species in human bodies

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Microchemical Journal 2024年 202卷

作者： Peter, X. Thatheyus Kuo, Chih-Yu Malar, P. Govindasamy, Mani Rajaji, Umamaheswari Yusuf, Kareem Thinfilm Photovoltaics Laboratory Department of Physics and Nanotechnology SRM Institute of Science and Technology Tamil Nadu Kattankulathur 603203 India Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei Taiwan International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Centre for Applied Research Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences (SIMATS) Tamil Nadu Chennai 602105 India Department of Chemistry College of Science King Saud University Riyadh 11451 Saudi Arabia

Herein, we report on fabrication of dysprosium-based metal–organic framework (Dy-MOF)@multiwalled carbon nanotubes (MWCNT) composites modified with glassy carbon electrode (Dy-MOF@MWCNT/GC) as a working electrode for Antimalarial drug detection. Dy-MOF@MWCNT composites was prepared by sonochemical process along with ultrasonication. The composite structure, phase purity, morphology and composition of the composites were confirmed by X-ray diffraction, Scanning electron microscope, and X-ray photoelectron spectroscopy. Further, Dy@MWCNT composites were deposited on a glassy carbon electrode by drop casting method, and used as an electrode material to efficiently detect Amodiaquine (ADD) by electrochemical techniques such as CV and DPV. The as-prepared Dy@MWCNT composite material showed the oxidation peak current of ADD to be ∼ 60 % higher than other unmodified GC electrodes and showed a low charge transfer resistance (R_ct) of 24 Ω. The Dy@MWCNT provided a broad linear range of 0.4 to 20 µM with a limit of detection of 0.377 μM and sensitivity of 1.817 μA.μM⁻¹ for the detection of ADD. According to the pH study, the amount of electrons and protons involved in the electrochemical processes of ADD was calculated and a plausible mechanism for ADD electro-oxidation was proposed. Thus, the prepared sensor exhibited practical usefulness by determining the ADD drug in human urine samples. Hence, the results shows that the Dy@MWCNT- modified sensor has good electrocatalytic activity for the redox of ADD. © 2024 Elsevier B.V.

关键词： Amodiaquine Antimalarial drug Carbon nanomaterials Electrochemical sensor Metal organic framework

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Machine-Learning Adsorption on Binary Alloy Surfaces for Catalyst Screening

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Chinese Journal of chemical physics 2020年第6期33卷 703-711,I0002页

作者： Tai-ran Wang Jian-cong Li Wu Shu Su-lei Hu Run-hai Ouyang Wei-xue Li Department of Chemical Physics School of Chemistry and Materials ScienceUniversity of Science and Technology of ChinaHefei 230026China Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Tech-nology of ChinaHefei 230026China Materials Genome Institute Shanghai UniversityShanghai 200444China Dalian National Laboratory for Clean Energy Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Over the last few years, machine learning is gradually becoming an essential approach for the investigation of heterogeneous catalysis. As one of the important catalysts, binary alloys have attracted extensive attention for the screening of bifunctional catalysts. Here we present a holistic framework for machine learning approach to rapidly predict adsorption energies on the surfaces of metals and binary alloys. We evaluate different machine-learning methods to understand their applicability to the problem and combine a tree-ensemble method with a compressed-sensing method to construct decision trees for about 60000 adsorption *** to linear scaling relations, our approach enables to make more accurate predictions lowering predictive root-mean-square error by a factor of two and more general to predict adsorption energies of various adsorbates on thousands of binary alloys surfaces, thus paving the way for the discovery of novel bimetallic catalysts.

关键词： Machine learning Heterogenous catalysis Adsorption energy Bimetallic cat-alyst

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