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Zinc-Doping-Induced Electronic States Modulation of Molybdenum Carbide: Expediting Rate-Determining Steps of Sulfur Conversion in Lithium-Sulfur Batteries

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advanced science 2025年第0期 e2417126页

作者： Qin, Bin Li, Yanmei Wang, Qun Zhang, Si Zhang, Jinglin Wang, Bin Wang, Peijia Chen, Yuhan Yao, Weiqi Wang, Fang Key Laboratory of Magnetic Molecules and Magnetic Information Materials of Ministry of Education & School of Chemistry and Materials Science Shanxi Normal University Taiyuan030001 China Shanxi Key Laboratory of Advanced Magnetic Materials and Devices & Research Institute of Materials Science of Shanxi Normal University Taiyuan030001 China Basic Department Shanxi Agricultural University Jinzhong030801 China School of Materials Science and Engineering Harbin Institute of Technology Harbin150001 China Department of Mechanical Engineering City University of Hong Kong 999077 Hong Kong Materials Science and Engineering Program & Texas Materials Institute The University of Texas at Austin AustinTX78712 United States

Enhancing Li2S deposition and oxidation kinetics in lithium-sulfur batteries, especially the potential-limiting step under lean electrolyte, can be effectively achieved by developing conductive catalysts. In this study, by using ZnMoO4 as precursors, Zn-doped molybdenum carbide microflowers (Zn-Mo2C) composed of speared porous sheets are fabricated with a hierarchically ordered structure. Density functional theory calculations indicate that Zn doping shifts the d-band center on Mo atoms in Mo2C upward, promotes the elevation of certain antibonding orbitals in Mo─S bonds above the Fermi level, enhances d-p interaction between lithium polysulfides (LiPSs) and catalysts, weakens both S─S and Li─S bonds of LiPSs. Incorporating Zn significantly reduces the Gibbs free energy barrier for the rate-limiting step of the Li2S2 → Li2S conversion, from 0.52 eV for Mo2C to just 0.05 eV for Zn-doped Mo2C. Thus, the synthesized Zn-Mo2C demonstrates impressive bifunctional electrocatalytic performance, significantly advancing sulfur reduction and Li2S decomposition. Moreover, this modification enhances charge transfer within the Zn-Mo2C/LiPSs system, synergistically accelerating the kinetics of Li2S4 to Li2S reduction and Li2S oxidation. The Zn-Mo2C/S cathode demonstrates impressive electrochemical performance, achieves remarkable cycling stability with a minimal capacity decay of 0.021% per cycle over 1000 cycles at 5 C, underscoring its potential for high-energy applications. © 2025 The Author(s). advanced science published by Wiley-VCH GmbH.

关键词： Gibbs free energy

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Effect of TiO 2 concentration in PVDF-TiO 2 -PVP mixed matrix membrane performance using ultrafiltration process

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Materials Today: Proceedings 2024年 96卷 1-5页

作者： Rianyza Gayatri Erna Yuliwati Ahmad Noor Syimir Fizal Muhamad Zulhilmi Zailani Juhana Jaafar Muzafar Zulkifli Wirach Taweepreda Ahmad Naim Ahmad Yahaya Universiti Kuala Lumpur Malaysian Institute of Chemical and Bioengineering Technology Alor Gajah Melaka 78000 Malaysia Department of Material Science and Technology Faculty of Science Prince of Songkla University (PSU) Hat Yai Songkla 90110 Thailand Program Study of Chemical Engineering Faculty of Engineering Universitas Muhammadiyah Palembang Jalan A.Yani 13 Ulu Kota Palembang 30263 Indonesia Centre for Sustainability of Ecosystem & Earth Resources (Pusat ALAM) Universiti Malaysia Pahang Lebuh Persiaran Tun Khalil Yaakob 26300 Gambang Pahang Malaysia Advanced Membrane Technology Research Centre (AMTEC) Faculty of Chemical and Energy Engineering Universiti Teknologi

This study investigated how the addition of hydrophilic TiO 2 to a porous asymmetric polyvinylidene fluoride (PVDF) Ultrafiltration (UF) membrane altered its properties and performance. The hydrophilicity and flux of PVDF and polyvinylpyrrolidone (PVP) combinations will be lower, and TiO 2 will significantly impact raising those values. By mixing titanium dioxide (TiO 2 ) nanoparticles with a pore-forming agent in a dope solution, PVDF-TiO 2 -PVP membranes were prepared via non-solvent-induced phase inversion method. Experiments using PVDF membranes with varying concentrations of TiO 2 (0, 0.25, 0.5, 1, 1.5, and 2% wt) were applied to evaluate pure water flux and Bovine Serum Albumin (BSA) flux. The functional group composition of membranes was investigated by Fourier transform infrared spectroscopy. The wettability of porous membranes was determined by measuring contact angles. Results demonstrated that membranes constructed from PVDF/PVP/TiO 2 with a lower loading of TiO 2 nanoparticles had a smaller mean pore size, more apertures inside the membrane, and better membrane hydrophilicity. The highest flux of pure water (121 L/m 2 h) was achieved by the PVDF-TiO 2 -PVP mixed-matrix membrane at a TiO 2 concentration of 2 wt%.

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Monte Carlo-Based Identification of Electron and Proton Edges for Calibration of Miniaturized Tissue Equivalent Proportional Counter

SSRN

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SSRN 2022年

作者： Eom, Mingi Youn, Sukwon Ye, Sung-Joon Program in Biomedical Radiation Sciences Department of Transdisciplinary Studies Graduate School of Convergence Science and Technology Seoul National University Seoul Korea Republic of Department of Applied Bioengineering Research Institute of Convergence Science Graduate School of Convergence Science and Technology Seoul National University Seoul Korea Republic of Advanced Institutes of Convergence Technology Seoul National University Suwon Korea Republic of

A miniaturized tissue equivalent proportional counter (mini-TEPC) cannot accommodate an internal alpha source for calibration. Instead, electron and proton edges on Monte Carlo (MC)-generated lineal energy spectra can be identified as makers for this purpose. A mini-TEPC of 1 mm-diameter and-length cylinder was assumed to be irradiated with 137Cs or 252Cf source and to have the tissue size of 1 or 2 µm. The electron edge marker, yδδ (maximum of second derivative of the fitted function) from Geant4 and MCNP6 was close to each other and comparable to the analytical values. The proton edges from the two codes were comparable, especially in yδδ but showed a difference from the analytical values. The lineal energy spectra from Geant4 and MCNP6 simulations were somewhat different in their peak locations. However, MC simulations of realistic detector and source geometry would provide practical channel positions of electron and proton edges for calibration of mini-TEPC. © 2022, The Authors. All rights reserved.

关键词： Electrons

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Dual template using P123-gelatin for synthesized large mesoporous silica for enhanced adsorption of dyes

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South African Journal of Chemical Engineering 2023年 43卷 312-326页

作者： Safitri, Widiya Nur Habiddin, Habiddin Ulfa, Maria Trisunaryanti, Wega Bahruji, Hasliza Holilah, Holilah Rohmah, Alya Awinatul Sholeha, Novia Amalia Jalil, Aishah Abdul Santoso, Eko Prasetyoko, Didik Department of Chemistry Faculty of Science and Data Analytics Institut Teknologi Sepuluh Nopember East Java Keputih Sukolilo Surabaya 60111 Indonesia Chemistry Education Study Program Faculty of Teacher Training and Education Universitas Sebelas Maret Jl. Ir. Sutami 36A Surakarta 57126 Indonesia Department of Chemistry Faculty of Science Universitas Gadjah Mada Sekip Utara Sleman Indonesia Centre for Advanced Material and Energy Sciences Universiti Brunei Darussalam Bandar Seri Begawan BE 1410 Brunei Darussalam Research Center for Biomass and Bioproducts National Research and Innovation Agency of Indonesia (BRIN) Cibinong 16911 Indonesia Department of Food Science and Technology Faculty of Agriculture Halu Oleo University Indonesia College of Vocational Studies Bogor Agricultural University (IPB University) Jalan Kumbang No. 14 Bogor 16151 Indonesia Department of Chemical Engineering Faculty of Chemical and Energy Engineering Universiti Teknologi Malaysia 81310 UTM Johor Skudai Johor Bahru Malaysia

Mesoporous Silica with a large mesopore channel was synthesized using the sol-gel method for dye adsorption. A dual template consisting of P123 and gelatin at different ratios was employed in the sol-gel synthesis to enhance surface area and mesopore diameter. Gelatin is a green pore directing agent that strengthens P123 thermal stability during the calcination of silicate gel. Optimization of P123:gelatin ratio to 1:0.02 increased the surface area of mesoporous silica to 561.9 m²/g and expanded the pore diameter to 10 nm. The large pore diameter and surface area enhanced methylene blue adsorption capacity to 363.63 mg/g. The adsorption of methylene blue on mesoporous silica follows the pseudo second-order kinetic and the Langmuir model. Regeneration studies using thermal and chemical treatments exhibited the potential of mesoporous silica as an adsorbent for multiple adsorption-desorption of dyes. © 2022 The Author(s)

关键词： Dual template Dye Gelatin Mesoporous silica Pluronic P123

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Complete mitochondrial genome of a sea cucumber,Euapta godeffroyi(Echinodermata, Holothuroidea, Apodida, Synaptidae)

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Mitochondrial DNA Part B 2022年第8期7卷 1457-1459页

作者： Akito Ogawa Shimpei F. Hiruta Mu Mu Aung Toshihiko Fujita a Super-Cutting-Edge Grand and Advanced Research (SUGAR) Program Institute for Extra-Cutting-Edge Science and Technology Avant-grade Research (X-STAR) Japan Agency for Marine-Earth Science and Technology (JAMSTEC) Yokosuka Japanb Department of Zoology National Museum of Nature and Science Tsukuba Japan c The Mt. Fuji Institute for Nature and Biology Showa University Fujiyoshida Japand Center for Molecular Biodiversity Research National Museum of Nature and Science Tsukuba Japan e Forest Research Institute Forest Department Ministry of Natural Resources and Environmental Conservation Yezin Myanmar b Department of Zoology National Museum of Nature and Science Tsukuba Japan

We determined the complete mitochondrial genome sequence of a holothurianEuapta godeffroyibelonging to the order Apodida. The complete mitogenome ofE. godeffroyiwas 16,410 bp in length and consisted of 13 protein-coding genes (PCGs), two ribosomal RNA genes, and 22 transfer RNA genes. The orders of PCGs and rRNAs did not match those of any recorded holothurian mitogenomes. The maximum likelihood (ML) phylogenetic tree placedE. godeffroyias the sister group to chiridotid species and supported the monophyly of the order Apodida.

关键词： Echinodermata sea cucumber complete mitogenome Synaptidae

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An Ultrastable Tetrabenzonaphthalene-Linked conjugated microporous polymer functioning as a high-performance electrode for supercapacitors

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Journal of the Taiwan Institute of Chemical Engineers 2024年 158卷

作者： Samy, Maha Mohamed Mohamed, Mohamed Gamal Sharma, Santosh U Chaganti, Swetha V Lee, Jyh-Tsung Kuo, Shiao-Wei Department of Materials and Optoelectronic Science College of Semiconductor and Advanced Technology Research Center for Functional Polymers and Supramolecular Materials National Sun Yat-Sen University Kaohsiung804 Taiwan Chemistry Department Faculty of Science Assiut University Assiut Egypt International PhD Program for Science National Sun Yat-sen University Kaohsiung80424 Taiwan Department of Chemistry National Sun Yat-Sen University Kaohsiung80424 Taiwan Department of Medicinal and Applied Chemistry Kaohsiung Medical University Kaohsiung807 Taiwan

Background: Conjugated microporous polymers (CMPs) have been applied widely in several energy storage applications. Triphenylamine derivatives are good electrode materials that can be processed into SC devices because of their high charge mobilities, unique electronic properties, and high redox activity. Methods: We prepared two novel tetrabenzonaphthalene-linked conjugated microporous polymers (TBN-pH CMPs) through [4 + 2] and [4 + 3] Schiff-base condensations of 2,7,10,15-tetra(4-formylphenyl)tetrabenzonaphthalene (TBN-PhCHO) with tetrakis(4-aminophenyl)ethene (TPE-4NH2) and tris(4-aminophenyl)amine (TPA-3NH2), respectively. Fourier transform infrared, and solid-state 13C NMR spectroscopy investigated the structures of the as-prepared CMPs. Significant Findings: These CMPs, had large surface areas and outstanding thermal stability at temperatures of up to 400 °C, making them suitable for use as electrodes in supercapacitor (SC) systems. Indeed, the TBN-TPA CMP–based electrode had high specific capacitances (251 F g − 1 measured at 0.5 A g–1) and capacity retentions (94%, measured after 5000 cycles at 10 A g–1) when tested in three-electrode systems. We attribute the remarkable electrochemical activity and conductivity of the TBN-TPA CMP electrode to its large specific surface area (230 m2 g–1) and chemical structure featuring stacking of the benzene rings of its redox-active triphenylamine moieties. © 2023 Taiwan Institute of Chemical Engineers

关键词： Supercapacitor

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Diabetes Prediction Model for Better Clarification by using Machine Learning

Diabetes Prediction Model for Better Clarification by using ...

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International Conference on Inventive Computation Technologies (ICICT)

作者： J. Lysa Eben R. Jayasudha S. Ramya S. Kaliappan Shobha Aswal Khalid Ali Salem Al-Salehi Department of Computer Applications School of Computing Sciences Vels Institute of Science Technology and Advanced Studies Chennai Tamilnadu India Department of Mathematics Dr.N.G.P.Institute of Technology Coimbatore India Department of Computer Science and Engineering Kongu Engineering College Erode Tamilnadu India Division of Research and Development Lovely Professional University Phagwara Punjab India School of Computing Graphic Era Hill University Dehradun India Biomedical engineering study program faculty of science and technology Airlangga University Surabaya Indonesia

Diabetes mellitus is one of the most pressing health concerns because so many people are afflicted by its disabling symptoms. Factors such as age, excess body fat, insufficient physical activity, a history of diabetes in one's family, a sedentary lifestyle, an unhealthy diet, hypertension, etc., all increase the likelihood of developing diabetes mellitus. Health complications are more common in people with diabetes, including cardiovascular disease, renal failure, stroke, blindness, and nerve injury. To validate a diagnosis of diabetes, hospitals typically perform a battery of procedures on the patient. Big data analytics has many vital applications in the healthcare sector. Numerous large computer systems are used in the healthcare sector. With the help of big data analytics, researchers can sift through mountains of data in search of previously unseen patterns and insights. Current techniques have a poor degree of precision in classification and forecast. While previous research has focused on factors such as glucose, body mass index, age, insulin, etc., the proposed model takes these into account and also the other factors that may be more relevant to the development of diabetes. The newer sample is superior to the older one based on categorization accuracy. A workflow algorithm for diabetes prognosis is also required to improve the accuracy.

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Sn-Mediated Local Atomic Ordering Enhances Reversible Anionic Redox Activity in Cation-Disordered Li1.3Mn0.4Nb0.3O2 Cathodes

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advanced Energy Materials 2025年第0期

作者： Sun, Gang Nie, Dan Zhu, Qingjun Gao, Lijun Chang, Yi-Hung Liu, Han Yang, Jiayi Ren, Yang Shao, Yu-Cheng Ishii, Hirofumi Sui, Xulei Wang, PanPan Wang, Hsiao-Tsu Wang, Zhenbo Shenzhen Key Laboratory of Special Functional Materials Shenzhen Engineering Laboratory for Advance Technology of Ceramics Guangdong Research Center for Interfacial Engineering of Functional Materials Guangdong Provincial Key Laboratory of New Energy Materials Service Safety College of Materials Science and Engineering Shenzhen University Shenzhen518071 China Bachelor's Program in Advanced Materials Science Tamkang University No.151 Yingzhuan Rd. Tamsui Dist. New Taipei25137 Taiwan Department of Physics City University of Hong Kong 999077 Hong Kong National Synchrotron Radiation Research Center 101 Hsin-Ann Road Hsinchu Science Park Hsinchu300092 Taiwan State Key Laboratory of Space Power-Sources MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage MOE Engineering Research Center for Electrochemical Energy Storage and Carbon Neutrality in Cold Regions School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin150001 China

Recent advances in lithium-ion batteries have revealed the potential of Li-excess cation-disordered rock salt (DRX) cathodes, which expand the design space for cathode materials. The evidence of facile lattice substitution further provides a key strategy for activating redox reaction centers and enhancing the cycling performance of such materials. Here, the study explores how Sn-mediated local atomic ordering enhances reversible anionic redox activity in Li1.3Mn0.4Nb0.3O2 through the use of aberration-corrected scanning transmission electron microscopy, ex/in situ X-ray techniques, and theoretical calculation. The results demonstrate that Sn incorporation optimizes the local atomic structure, fostering the formation of rapid Li+ diffusion "elevator" pathways and short-range ordered structures, thereby enhancing the Li+ transport network. Additionally, quantitative analysis of the redox pathways and degree of participation for Mn and O during charge–discharge cycles reveals that the Sn-mediated electrode exhibits enhanced anionic O redox activity at high charging voltages, maintaining elevated activity throughout subsequent cycling. This sustained performance not only indicates increased redox capabilities but also suggests improved structural stability. By elucidating the complex interplay between composition, local structure, and performance, this study advances the understanding of DRX materials and underscores the potential of strategic elemental substitution for optimizing disordered cathode materials in next-generation energy storage systems. © 2025 Wiley-VCH GmbH.

关键词： Redox reactions

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Ultrasensitive detection of ornidazole–antibiotic drug residues in water using NiMOFs functionalized MWCNT modified electrode

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Microchemical Journal 2024年 197卷

作者： Vignesh, Kondusamy Senthil Kumar, Annamalai Arumugam Napoleon, Ayyakannu Kuo, Chih-Yu Yusuf, Kareem Govindasamy, Mani Nano and Bioelectrochemistry Research Laboratory Carbon dioxide Research and Green Technology Centre and Department of Chemistry School of Advanced Sciences Vellore Institute of Technology Vellore 632 014 India Department of Chemistry School of Advanced Sciences Vellore Institute of Technology Vellore 632 014 India International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 10608 Taiwan Department of Chemistry College of Science King Saud University Riyadh 11451 Saudi Arabia Centre for Applied Research Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences (SIMATS) Tamil Nadu Chennai 602105 India Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan

Nitroimidazole-based drugs are widely used as an antibiotic for the treatment of anaerobic bacterial and parasite illnesses. The widespread use of these drugs in animal feed and the consequent environmental pollution have become significant concerns in recent years. Simple, sensitive, and rapid detection of the antibody in various real samples is demanding research interest. Herein, we report a Nickel-metal organic framework functionalized Multiwalled Carbon nanotubes modified glassy carbon electrode (MWCNT@NiMOFs) as an ultrasensitive and rapid voltammetric sensor for the detection of ornidazole (ORDZ) in a neutral pH solution. The MWCNT@NiMOFs were prepared using a microwave-assisted solvothermal technique accompanied by an ultrasonication method. The designed MWCNT@NiMOFs offered a low charge transfer resistance (R_ct) of 141 Ω along with excellent electrocatalytic activity, and high current density at the lowered cathodic peak potential (-0.62 V vs Ag/AgCl) for ORDZ detection. The surface adsorption capacity (Γ_s) in terms of surface excess and heterogeneous charge transfer rate constant (k⁰) of the MWCNT@NiMOFs were calculated to be 3.29 × 10^-9 mol cm⁻² and 5.33 × 10^-3 cm s⁻¹, respectively. Under an optimal working condition, differential pulse voltammetry measurements of ORDZ have shown concentration linearity in a window, 100 nm to 10 µM range with excellent sensitivity, 5.69 × 10^-5A µM⁻¹ cm⁻², and detection limit, 26 nM (3.3/s). The designed MWCNT@NiMOFs offered appreciable reproducibility, and repeatability up to 30 days of storage time. The real-time quantitative evaluation of ORDZ in human urine and tap water specimens was done along with ∼ 100 % recovery values. Since the new approach is simple, selective, and separation-free, it can be extendable to a variety of real-time practical applications. © 2024 Elsevier B.V.

关键词： Electrocatalytic reduction Multi-walled carbon nanotubes Nickel Metal-organic frameworks Ornidazole drug Ultrasensitive detection

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Quantum critical behavior of the hyperkagome magnet Mn3CoSi

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Physical Review research 2024年第1期6卷 013144-013144页

作者： Hiroki Yamauchi Dita Puspita Sari Yukio Yasui Terutoshi Sakakura Hiroyuki Kimura Akiko Nakao Takashi Ohhara Takashi Honda Katsuaki Kodama Naoki Igawa Kazutaka Ikeda Kazuki Iida Daichi Ueta Tetsuya Yokoo Matthias D. Frontzek Songxue Chi Jaime A. Fernandez-Baca Kenji M. Kojima Donald Arseneau Gerald Morris Bassam Hitti Yipeng Cai Adam Berlie Isao Watanabe Pai-Tse Hsu Yu-Sheng Chen Min Kai Lee Amelia Elisabeth Hall Geetha Balakrishnan Lieh-Jeng Chang Shin-ichi Shamoto Materials Sciences Research Center Japan Atomic Energy Agency (JAEA) Tokai Ibaraki 319-1195 Japan Innovative Global Program College of Engineering Shibaura Institute of Technology 307 Fukasaku Minuma-ku Saitama City Saitama 337-8570 Japan Meson Science Laboratory RIKEN Nishina Center 2-1 Hirosawa Wako Saitama 351-0198 Japan School of Science and Technology Meiji University Kawasaki Kanagawa 214-8571 27 Japan Neutron Industrial Technology Center Comprehensive Research Organization for Science and Society (CROSS) Tokai Ibaraki 319-1106 Japan Institute of Multidisciprinary Research for Advanced Materials Tohoku University Sendai 980-8577 Japan Neutron Science and Technology Center Comprehensive Research Organization for Science and Society (CROSS) Tokai Ibaraki 319-1106 Japan J-PARC Center Japan Atomic Energy Agency (JAEA) Tokai Ibaraki 319-1195 Japan Institute of Materials Structure Science High Energy Accelerator Research Organization (KEK) Tsukuba Ibaraki 305-0801 Japan Neutron Scattering Division Oak Ridge National Laboratory (ORNL) Oak Ridge Tennessee 37831 USA TRIUMF Vancouver British Columbia V6T 2A3 Canada ISIS Neutron and Muon Source Science and Technology Facilities Council Rutherford Appleton Laboratory Didcot OX11 0QX United Kingdom Department of Physics National Cheng Kung University Tainan 70101 Taiwan National Synchrotron Radiation Research Center Hsinchu 300092 Taiwan Department of Physics University of Warwick Coventry CV4 7AL United Kingdom Institute of Physics Academia Sinica Taipei 115201 Taiwan Advanced Science Research Center Japan Atomic Energy Agency (JAEA) Tokai Ibaraki 319-1195 Japan

β-Mn-type family alloys Mn3TX (T=Co, Rh, and Ir; X=Si and Ge) have a three-dimensional antiferromagnetic (AF) corner-shared triangular network, i.e., the hyperkagome lattice. The antiferromagnet Mn3RhSi shows magnetic short-range order over a wide temperature range of approximately 500 K above the Néel temperature TN of 190 K. In this family of compounds, as the lattice parameter decreases, the long-range magnetic ordering temperature decreases. Mn3CoSi has the smallest lattice parameter and the lowest TN in the family. The quantum critical point (QCP) from AF to the quantum paramagnetic state is expected near a cubic lattice parameter of 6.15 Å. Although the Néel temperature of Mn3CoSi is only 140 K, the emergence of the quantum critical behavior in Mn3CoSi is discussed. We study how the magnetic short-range order appears in Mn3CoSi by using neutron scattering, μSR, and bulk characterization such as specific heat capacity. According to the results, the neutron scattering intensity of the magnetic short-range order in Mn3CoSi does not change much at low temperatures from that of Mn3RhSi, although the μSR short-range order temperature of Mn3CoSi is largely suppressed to 240 K from that of Mn3RhSi. Correspondingly, the volume fraction of the magnetic short-range order regions, as shown by the initial asymmetry drop ratio of μSR above TN, also becomes small. Instead, the electronic-specific heat coefficient γ of Mn3CoSi is the largest in this Mn3TSi system, possibly due to the low-energy spin fluctuation near the quantum critical point.

关键词： Critical phenomena Exotic phases of matter Magnetic order Magnetism Phase diagrams Phase transitions Quantum phase transitions

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