li A nano-biosensing platform based on CuS-BSA for label-free fluorescence detection of Escherichia coli By pubs.rsc.org Published On :: Analyst, 2024, 149,5394-5400DOI: 10.1039/D4AN01060D, PaperXiaoqing Zhang, Shanglin Li, Mei LiuA fluorescence biosensing strategy was developed based on CuS-BSA for sensitive and rapid detection of Escherichia coli.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Effects of media composition and light exposure on the electrochemical current response during scanning electrochemical microscopy live cell imaging By pubs.rsc.org Published On :: Analyst, 2024, 149,5555-5562DOI: 10.1039/D4AN01075B, PaperNikita Thomas, Mengzhen Lyu, Jadon Khouv, Dhésmon Lima, Sabine KussThe cellular electrochemical current response is impacted by media composition and light exposure during scanning electrochemical microscopy (SECM).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Nanozyme linked multi-array gas driven sensor for real-time quantitative detection of Group A streptococcus By pubs.rsc.org Published On :: Analyst, 2024, 149,5433-5442DOI: 10.1039/D4AN00787E, PaperQi Wang, Pei Liu, Ke Xiao, Wenying Zhou, Jinfeng Li, Yun XiGroup A streptococcus (GAS) is a pathogen typically transmitted through respiratory droplets and skin contact, causing an estimated 700 million mild non-invasive infections worldwide each year.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Probing the role of ligation and exonuclease digestion towards non-specific amplification in bioanalytical RCA assays By pubs.rsc.org Published On :: Analyst, 2024, 149,5491-5503DOI: 10.1039/D4AN00866A, PaperVandana Kuttappan Nair, Chandrika Sharma, Shrawan Kumar, Mrittika Sengupta, Souradyuti GhoshComprehensive quantitative analysis of various ligation and digestion conditions to identify and minimize non-specific amplification in RCA bioanalytical methods.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Imaging specific proteins in living cells with small unnatural amino acid attached Raman reporters By pubs.rsc.org Published On :: Analyst, 2024, 149,5476-5481DOI: 10.1039/D4AN00758A, PaperErli Cai, Yage Chen, Jing Zhang, Haozheng Li, Yiran Li, Shuai Yan, Zhiyong He, Quan Yuan, Ping WangFor living HeLa cells, we report a small and minimally-invasive Raman reporter (about 2 aa and <1 kDa), which can be site-specifically introduced into proteins by genetic codon expansion combined with tetrazine ligation.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Acoustic levitation and manipulation of columns of droplets with integrated optical detection for parallelisation of reactions By pubs.rsc.org Published On :: Analyst, 2024, 149,5546-5554DOI: 10.1039/D4AN01096E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ruchi Gupta, Nicholas J. GoddardIn this work, acoustically levitated droplets serve as wells of microtitre plates and are acoustically manipulated to perform chemical and biological reactions in a non-contact fashion.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Liquid saliva-based Raman spectroscopy device with on-board machine learning detects COVID-19 infection in real-time By pubs.rsc.org Published On :: Analyst, 2024, 149,5535-5545DOI: 10.1039/D4AN00729H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Katherine J. I. Ember, Nassim Ksantini, Frédérick Dallaire, Guillaume Sheehy, Trang Tran, Mathieu Dehaes, Madeleine Durand, Dominique Trudel, Frédéric LeblondRaman spectroscopy and machine learning is used in combination to detect COVID-19 positive saliva in liquid form.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Electrochemical Sensing of Sodium ions present in Bovine Serum using 4-tert Butylcalix[4]arene as Receptor By pubs.rsc.org Published On :: Analyst, 2024, Accepted ManuscriptDOI: 10.1039/D4AN01297F, PaperAdrian Ebenazer Paul, Gaurav Gaur, Abdullah Alswieleh, Jerry J. Wu, Sambandam AnandanThe concentration of sodium ions can cause severe imbalances (high pressure on blood vessels, swelling of the muscular tissues, and misfunctioning of the whole nervous system) to the system in...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Impact of blue light on cutaneous barrier structures and properties: NPLC/HR-MSn and Raman analyses By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01244E, PaperLéa Habib, Rime Michael-Jubeli, Marie Abboud, Roger Lteif, Ali TfayliBlue light alters lipids and proteins in the reconstructed human epidermis.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Exploring gunshot residue detection in fingerprints by functionalized particle-coupled matrix-assisted laser desorption/ionization mass spectrometry By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01260G, PaperSunil S. Adav, Yan Wen Crystal Tan, Choon Teck Low, Song Wei Loo, Ridhwan Yusoff, Archana Gautam, Yuk Lin Yong, Chiew Yung Yang, Chin Chin Lim, Kee Woei NgIn firearm forensic investigations, detecting gunshot residue (GSR) is crucial for linking firearms to suspects and determining firing distance for forensic reconstruction.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Generation, manipulation, detection and biomedical applications of magnetic droplets in microfluidic chips By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01175A, MinireviewChenyang Xu, Huanhuan Shi, Zhongjian Tan, Yun Zheng, Weizheng Xu, Zhengxian Dan, Jiacong Liao, Zhiying Dai, Yali ZhaoThis review discusses the formation and manipulation of magnetic droplets on microfluidic chips and classifies related detection techniques. Applications in biomedicine were reviewed. Future development of this emerging field is provided.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Structural determination of fructooligosaccharides and raffinose family oligosaccharides using logically derived sequence tandem mass spectrometry By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00872C, PaperChia Yen Liew, Wun-Long Li, Chi-Kung NiLogical procedures for structural determination of fructooligosaccharides and raffinose family oligosaccharides.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li A Novel Light-Harvesting ZIF-9-TCPP as a Promising FRET-based Ratiometric Fluorescence Probe for Sperm Mobility By pubs.rsc.org Published On :: Analyst, 2024, Accepted ManuscriptDOI: 10.1039/D4AN01305K, PaperYi-Xuan Li, Yu-Xuan Dai, Ju-Zheng Wang, Jérôme Chauvin, Xueji Zhang, Serge Cosnier, Robert Marks, Dan ShanThe concentration of zinc ions in semen is significantly correlated to the sperm viability and male fertility. In this work, a reliable ratiometric fluorescence probe (ZIF-9-TCPP) based on the efficient...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Behind the glow: unveiling the nature of NanoLuc reactants and products By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27447-27458DOI: 10.1039/D4CP02551B, PaperAlessandro Bonardi, Michele Turelli, Giorgio Moro, Claudio Greco, Ugo Cosentino, Carlo AdamoAmong all the possible candidates involved in the NanoLuc bioluminiescnce, this computational analysis identifies the enol tautomer of furimazine as a probable reactive species and the zwitterionic forms of furimamide as the luminescent product.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27684-27693DOI: 10.1039/D4CP02867H, PaperYeng-Tseng Wang, Yuan-Chin Hsieh, Tin-Yu WuThe Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human health because of the lack of effective antiviral drugs.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Densification of sodium and magnesium aluminosilicate glasses at ambient temperature: structural investigations by solid-state nuclear magnetic resonance and molecular dynamics simulations By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27348-27362DOI: 10.1039/D4CP02431A, PaperMillena Logrado, Yara Hellen Firmo Gomes, Tomiki Inoue, Shingo Nakane, Yoshinari Kato, Hiroki Yamazaki, Akihiro Yamada, Hellmut EckertSuperposition of 17O triple-quantum magic-angle spinning NMR spectra of 20MgO–20Al2O3–60SiO2 (MAS**) and 20Na2O–20Al2O3–60SiO2 (NAS**) glasses prepared at ambient pressure (AP) and pressurized and decompressed at 25 GPa at room temperature (HP(25)).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Cation effects and charge inversion contribute to the electrostatic stabilisation of protein bioconjugates in neat ionic liquids By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27648-27659DOI: 10.1039/D4CP01811G, PaperLokesh Soni, Raj Kumar, Kamendra P. Sharma, Ajay Singh PanwarDispersion of protein–polymer surfactant bioconjugates was stabilised by a combination of surface overcharging and steric exclusion of long chain cations in neat aprotic ionic liquid.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Hole-states in Li doped NiO: doping dependence of Zhang-Rice spectral weight By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27735-27740DOI: 10.1039/D4CP03373F, PaperSuman Mandal, Krishnakumar S. R. MenonThe structural and spectroscopic evolution of Li-doped NiO, along with the behavior of doped hole states, are investigated using XRD and XAS.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Modeling interfacial electric fields and the ethanol oxidation reaction at electrode surfaces By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27544-27560DOI: 10.1039/D4CP02765E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yuhan Mei, Fanglin Che, N. Aaron DeskinsThe electrochemical environment present at surfaces can have a large effect on surface reactivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Near equivalence of polarizability and bond order flux metrics for describing covalent bond rearrangements By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27459-27465DOI: 10.1039/D4CP03337J, PaperLukas Kim, Teresa Head-GordonIdentification of the breaking point for the chemical bond is essential for our understanding of chemical reactivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li New metallic ice phase under high pressure By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27783-27790DOI: 10.1039/D4CP02543A, PaperYingying Huang, Liuyuan Zhu, Hanlin Li, Haiping Fang, Ruoyang Chen, Shiqi ShengNovel NaO2-Pa3 ice with cubic structure and face-centered cubic sublattice exhibits metallic property, owing to the electron orbital coupling of oxygen atoms in close proximity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Hydrogen bond network structures of protonated 2,2,2-trifluoroethanol/ethanol mixed clusters probed by infrared spectroscopy combined with a deep-learning structure sampling approach: the origin of the linear type network preference in protonated fluoroal By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27751-27762DOI: 10.1039/D4CP03534H, PaperPo-Jen Hsu, Atsuya Mizuide, Jer-Lai Kuo, Asuka FujiiInfrared spectroscopy combined with a deep-learning structure sampling approach reveals the origin of the unusual structure preference in protonated fluorinated alcohol clusters.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Diffracting molecular matter-waves at deep-ultraviolet standing-light waves By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27617-27623DOI: 10.1039/D4CP03059A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ksenija Simonović, Richard Ferstl, Alfredo Di Silvestro, Marcel Mayor, Lukas Martinetz, Klaus Hornberger, Benjamin A. Stickler, Christian Brand, Markus ArndtWe demonstrate an optical 266 nm beamsplitter for molecular matter-waves, observing effects of optical molecular properties in the gas phase such as absorption cross section and polarisability.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP00131A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Christine Gonsalves, Jorge A. Velasco, Jihong Yim, Jänis Järvilehto, Ville Vuorinen, Riikka L. PuurunenSystematic analysis of saturation profile characteristics allowed development of an extended slope method that relates the slope of the adsorption front to the sticking coefficient for any Knudsen number.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Hydrogen tunneling with an atypically small KIE measured in the mediated decomposition of the Co(CH3COOH)+ complex By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27741-27750DOI: 10.1039/D4CP02722A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Simon U. Okafor, Gabriele Pinto, Michael Brdecka, William Smith, Tucker W. R. Lewis, Michael Gutierrez, Darrin J. BellertRate-limiting hydrogen/deuterium tunneling rate constants are measured in the photon initiated decay of Co(CH3COOH)+ with small KIE values.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Two-dimensional Janus XWZAZ' (X = S, Se, Te; A = Si, Ge; Z, Z' = N, P, As): candidates for photocatalytic water splitting and piezoelectric materials By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27314-27324DOI: 10.1039/D4CP03503H, PaperZhen Gao, Hongbo Wu, Yao He, Kai XiongJanus two-dimensional (2D) materials exhibit strong light absorption and high solar-to-hydrogen conversion efficiency, making them promising candidates for photocatalytic water splitting applications.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Dynamics of ionic liquids by means of nuclear magnetic resonance relaxation – overview of theoretical approaches By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27248-27259DOI: 10.1039/D4CP03183K, Review ArticleDanuta Kruk, Elzbieta Masiewicz, Roksana Markiewicz, Rajendra Kumar SinghNuclear magnetic resonance relaxometry probes the translational and rotational dynamics of ionic liquids. To take advantage of this unique experimental potential, appropriate theoretical models are needed.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Structural insights into carboxylic-acid based DES across H-bond donor ratios: impact of CL&Pol refinement By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27486-27497DOI: 10.1039/D4CP03233K, PaperJon Zubeltzu, Elixabete RezabalImproved force field parameters refine H-bond network and long-range structure in carboxylic-acid-based deep eutectic solvents.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27561-27566DOI: 10.1039/D4CP02533D, PaperRyoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu HiroseBayesian optimization allows theoretical investigation of the lithiation process of amorphous SiO anode materials for lithium (Li) ion batteries (LIBs).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27567-27582DOI: 10.1039/D4CP02806F, PaperD. Bostan, B. Mandal, D. BabikovWhen the tested system is artificially forced to follow the same collision path in indistinguishable and distinguishable treatments, all the differences between the results of the two treatments disappear.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li On the peculiar EPR spectra of P1 centers at high (12–20 T) magnetic fields By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27633-27647DOI: 10.1039/D4CP03055A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Orit Nir-Arad, Eyal Laster, Mais Daksi, Nurit Manukovsky, Ilia KaminkerState mixing at a high magnetic field in the well-studied nitrogen substitutions in diamonds leads to unique electron spin spectral properties.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Unveiling the potential of aluminum-decorated 3D phosphorus graphdiyne as a catalyst for N2O reduction By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27677-27683DOI: 10.1039/D4CP02686A, PaperShehzad Ahmed, Adnan Ali Khan, Danish Khan, Awais Ghani, Rashid Ahmad, Tian Xiaoqing, Imran MuhammadThis study reveals the exceptional reactivity and efficiency of 3D-Al/PGDYN catalysts for the reduction of N2O and CO with minimal energy barriers.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Effects of oxidizer concentration and abrasive type on interfacial bonding and material removal in 4H-SiC polishing processes By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27791-27806DOI: 10.1039/D4CP03544E, PaperYuqi Zhou, Kezhong Xu, Yuhan Gao, Ziniu Yu, Fulong ZhuTwo different modes of material removal are defined based on the difference in the mode of atom removal, i.e., mechanical removal and removal associated with interfacial bonding.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Performance of functionalized graphene oxide with organic radical scavengers in proton exchange membranes By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27817-27828DOI: 10.1039/D4CP03151B, PaperYu Hu, Jiaxing Wang, Shuai Wang, Yuan FengA diazonium salt reaction is used to prepare benzoic acid-functionalized graphene oxide as a bi-functional filler for a Nafion membrane, and the corresponding composite membrane has improved chemical durability and proton conductivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Exploring the valleytronic, optical, and piezoelectric properties of Janus MoBXY2 (X = N, P; Y = S, Se, Te) monolayers for multifunctional applications By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03793F, PaperLuogang Xie, Lingli Wang, YanDong Ma, Hongyan Lu, Yang YangUnveiling novel Janus MoBXY2 monolayers with unique valleytronic, optical, and piezoelectric properties for multifunctional applications.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li A combination of experimental and theoretical methods in evaluating triazole derivatives' mild steel corrosion inhibition ability in an acidic solution By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03537B, PaperNgo Hong Cat Van, Nguyen Quang Trung, Pham Dinh Tu Tai, Pham Cam Nam, Dinh Quy HuongThe introduction of many nitrogen heteroatoms into inhibitor molecules improves corrosion inhibition efficiency.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Laser-induced fabrication of a supercooled liquid droplet embedded in an ice microcrystal By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03529A, PaperShuichi Hashimoto, Takayuki UwadaNear-IR laser-induced melting of ice microparticles proceeded with formation and growth of liquid domains in the ice lattice, resulting in a liquid droplet encapsulated in a microparticle.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li DFT rationalization of the mechanism and selectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP01700E, PaperGuowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran FangThe mechanism, regioselectivity, and chemoselectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols to give furan-3-carboxylate derivatives were explored by density functional theory (DFT).To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02296C, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’AngeloAn anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) – a combined DFT/experimental study By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02947J, PaperPaulo Roberto Garcês Gonçalves, Heitor Avelino De Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Hélio Anderson DuarteUnveiling the unique charge/discharge characteristics of akaganeite offers valuable insights into electron transfer mechanisms through experimental and DFT calculations.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Unveiling distinct bonding patterns in noble gas hydrides via interference energy analysis By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP04028G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lucas Araujo, Marco A. C. Nascimento, Thiago M. Cardozo, Felipe FantuzziSCGVB calculations show that in noble gas hydride ions NgH+ (Ng = He–Ar), energy well formation is driven by quantum interference. At equilibrium bond lengths, HeH+ and ArH+ exhibit covalent Ng+–H bonds, while NeH+ possesses a dative Ne → H+ bond.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li 20-electron exohedral alkaline-earth-metallofullerenes M(C60)3 (M = Ca, Sr, Ba) By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03404J, PaperFeiyang Huang, Jian Zhou, Tao YangElectron counting rules are powerful for determination of chemically stable complexes for various elemental groups. While the 18-electron rule has been established for transition metals, recent experiments have discovered that...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Density scaling and isodynes in glycerol-water mixtures By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP02231A, PaperDavid B. Noirat, Bernhard Frick, Bo Jakobsen, Markus Appel, Kristine NissThis paper presents dielectric and neutron spectroscopy data on two different glycerol-water mixtures at elevated pressures. Glycerol-water liquid mixtures have a high concentration of hydrogen bonds which usually is expected...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Synthesis and modification of boron nitride nanomaterials for gas sensors: from theory to application By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02137A, Review ArticleYan Zhang, Yan Wang, Cong Qin, Jianliang CaoThe synthesis and modification of BN based nanomaterials for gas sensors is summarized from theory to application.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li First-principles study on stability, electronic and optical properties of 2D SbXY (X=Se/Te, Y=I/Br)Janus layers By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04077E, PaperAnjana E Sudheer , Amrendra Kumar, Tejaswini G, Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Chinnathambi Kamal, D. MuraliMotivated by the exceptional optoelectronic properties of 2D Janus layers (JLs), we explore the properties of group Va antimony-based JLs SbXY (X=Se/Te, Y=I/Br). From the Bader charges, the elec-tric dipole...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P) By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03755C, PaperYi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan LuWe predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Morphology optimization via pre-aggregation and miscibility matching in PM6:L8-BO ternary organic solar cells By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03206C, PaperChuyue Wei, Junwei Zhang, Jing Deng, Xiangyan Yang, Jiahui Luo, Zixiao Xu, Lin Zhang, Shuaishuai Yuan, Weihua ZhouPre-aggregation and miscibility matching accounting for morphology optimization in ternary organic solar cells based on a PM6:L8-BO system.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Insight into the potential of M–NbS2 (M = Pd, Ti and V) monolayers as anode materials for alkali ion (Li/Na/K) batteries By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03744H, PaperMeixia Xiao, Shuling Xu, Haiyang Song, Zhifei Sun, Jiaying Bi, Beibei XiaoFirst-principles calculations were conducted to explore the effects of Pd, Ti and V doping on the performance of NbS2 monolayers as electrode materials for alkali ion batteries.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Photofragmentation and fragment analysis; Coriolis interactions in excited states of CH3 By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03292F, PaperMeng-Xu Jiang, Ágúst KvaranFormation, energetics and fragmentations relevant to the methyl radical, with main emphasis on dramatic effects of Coriolis interaction within its excited states.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
li Ballistic transport in sub-10 nm monolayer InAs transistors for high-performance applications By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03789H, PaperTianruo Xie, Yuliang MaoThe modelling of double gate MOSFETs of monolayer InAsH2 is shown in (a). The corresponding transfer characteristics are shown for (b) n-type and (c) p-type, in which various doping concentrations are chosen.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article