ABSTRACT Structural, electronic, optical, mechanical, and thermoelectric qualities for Cs 2 AuAsX 6 (X = Cl, Br, I) have been studied by first‐principles calculations. Mechanical, thermal, and structural stabilities are guaranteed from Born–Huang conditions, formation energy, and tolerance factor. Key elastic qualities like elastic constants, moduli, ductility, and Debye temperature have been estimated and it was concluded that these compounds (Cs 2 AuAsCl 6 , Cs 2 AuAsBr 6 , and Cs 2 AuAsI 6 ) are ductile and flexible to act as flexible solar materials. Related band gaps from calculated findings are observed to be 1.1, 0.7, and 0.2 eV accordingly, confirming their semiconducting nature by indirect band gaps and display strong absorption in the visible region. A density of states analysis provides evidence regarding electronic states taken for transitions. Optical property reveals bulk and infrared strong absorptions good for photovoltaic purposes. Low thermal conductivity and high power factors result in high figure‐of‐merit (ZT) values for materials with good waste heat conversion efficiency. Overall, these materials have bright prospects for both photovoltaic and thermoelectric uses.
Instruct (or "chat") tuned models have become the primary way in which most people interact with large language models. As opposed to "base" or "foundation" models, instruct-tuned models are optimized to respond to imperative statements. We present Hermes 3, a neutrally-aligned generalist instruct and tool use model with strong reasoning and creative abilities. Its largest version, Hermes 3 405B, achieves state of the art performance among open weight models on several public benchmarks.
Annotation of political discourse is resource-intensive, but recent developments in NLP promise to automate complex annotation tasks. Fine-tuned transformer-based models outperform human annotators in some annotation tasks, but they require large manually annotated training datasets. In our contribution, we explore to which degree a manually annotated dataset can be automatically replicated with today's NLP methods, using unsupervised machine learning and zero- and few-shot learning.
Diffusion models have become a powerful family of deep generative models, with record-breaking performance in many applications. This paper first gives an overview and derivation of the basic theory of diffusion models, then reviews the research results of diffusion models in the field of natural language processing, from text generation, text-driven image generation and other four aspects, and analyzes and summarizes the relevant literature materials sorted out, and finally records the experience and feelings of this topic literature review research.
Herein, the dependence of photovoltaic performance on the additives of FAX (X = Cl, Br, and I, FA = formamidinium) and ACl [A = methylammonium (MA), Cs, Rb, and NH4] in FAPbI3‐based perovskite solar cells (PSCs) is reported. Effect of concentration on photovoltaic parameters is first screened for each additive, from which optimal concentration is determined with respect to the pristine without additive. Power conversion efficiency (PCE) is significantly improved from 16.55% to 22.51% after adding 20 mol% FACl in the perovskite precursor solution, whereas moderate increase in PCE to 20.08% and 19.97% is observed for FABr and FAI, respectively, indicating an important role of chloride. MACl and CsCl improved PCE to 20.81% and 20.59%, respectively, which is, however, inferior to FACl. A significantly increased carrier lifetime by treating FACl is responsible for the best performance. Energy dispersive X‐ray spectroscopy shows that chloride in the additive FACl is not incorporated in grain but placed on the grain boundary, which plays an important role in passivating iodide‐deficient grain boundary. The FACl additive has benefits over other additives because it cannot change the bandgap of FAPbI3.
Zeina Assi, Alexander Gareth Schneider, Anna Christina Ulpe
et al.
The B–H bond length of the borohydride anion (BH4−) in alkali metal borohydrides MBH4 with M = Na, K, Rb, Cs, and diluted in different alkali halide matrices, was investigated experimentally by infrared spectroscopy (FTIR) and theoretically using first principles calculations. The peak positions in IR absorption spectra of NaBH4 pressed at 754 MPa in halides NaX and KX with X = Cl, Br, I show significant variations indicating ion exchange effects between the halide and NaBH4. For NaBH4 in NaBr, NaI, KBr and KI pellets, the peak positions indicate that BH4− could be highly diluted in the AX matrix, which renders an isolation of BH4− in AX (i-BH4−). For NaBH4 in NaCl and KCl pellets, a solution of BH4− in AX occurred only after a further thermal treatment up to 450 °C. The observed peak positions are discussed with respect to the lattice parameter (a0), anion to cation ratio (R = rA/rX), standard enthalpy of formation (ΔfH) and ionic character (Ic) of the halides. A linear relation is obtained between ν3(i-BH4−) and the short-range lattice energies of AX. Density functional theory (DFT) calculations at generalized gradient approximation (GGA) level were used to calculate the IR vibrational frequencies ν4, ν3 and ν2 + ν4 for series of compositions Na(BH4)0.25X0.75 with X = Cl, Br, I, and MBH4. The theoretical and experimental results show the same trends, indicating the rigidity of the B–H bond length and the failure of Badger’s rule.
Correction for ‘Initiation and future prospects of colloidal metal halide double-perovskite nanocrystals: Cs 2 AgBiX 6 (X = Cl, Br, I)’ by Vikash Kumar Ravi et al. , J. Mater. Chem. A , 2018, DOI: 10.1039/c8ta06126b.
Rachel Rudinger, Jason Naradowsky, Brian Leonard
et al.
We present an empirical study of gender bias in coreference resolution systems. We first introduce a novel, Winograd schema-style set of minimal pair sentences that differ only by pronoun gender. With these "Winogender schemas," we evaluate and confirm systematic gender bias in three publicly-available coreference resolution systems, and correlate this bias with real-world and textual gender statistics.
This paper studies how dependent typed events can be used to treat verb phrase anaphora. We introduce a framework that extends Dependent Type Semantics (DTS) with a new atomic type for neo-Davidsonian events and an extended @-operator that can return new events that share properties of events referenced by verb phrase anaphora. The proposed framework, along with illustrative examples of its use, are presented after a brief overview of the necessary background and of the major challenges posed by verb phrase anaphora.
AbstractThe new title compound is synthesized by reaction of Ga and Se in a CsCl flux in the presence of Mn (CsCl:Mn:Ga:Se = 6:4:5:12,1273 K, 4 d; 60% yield).
AbstractThe new title compound is synthesized from stoichiometric amounts of CsCl and HgI2 dissolved in acetone (45 °C, 24 h) and characterized by single crystal XRD, IR, Raman, UV/VIS diffuse reflectance spectroscopy, and nonlinear optical property measurements.
AbstractSingle crystals of the title compound are prepared by reaction of V2O5 and Fe2O3 in the presence of V powder in a eutectic CsCl/NaCl flux (silica tube, 600 °C, 48 h).
AbstractCs4[Sc6C]Cl13 (tetragonal, I41/amd; a = 1 540,5(4); c = 1 017,9(7) pm; c/a = 0,661; Z = 4; R = 0,038; Rw = 0,026 und Cs4[Pr6(C2)]I13 (a = 1 804,9(3); c = 1 259,5(3) pm; c/a = 0,698; R = 0,106; Rw = 0,068) werden bei der metallothermischen Reduktion von ScCl3 bzw. PrI3 mit Caesium in Gegenwart von Kohlenstoff in verschweißten Tantalampullen in Form von grünschwarzen bzw. blauschwarzen, messingglänzenden Einkristallen erhalten. Die weitgehend isotypen Kristallstrukturen enthalten isolierte [Sc6C]‐ bzw. [Pr6(C2)]‐Cluster, die von 18 Halogenid‐Ionen (X−, 12 Xi und 6 Xa; X = Cl bzw. I) umgeben sind. Die Verknüpfung erfolgt gemäß dem Motiv [M6Z]XXXX (M = Sc bzw. Pr; Z = C bzw. C2) und stellt damit ein noch unbekanntes Verknüpfungsmuster für Verbindungen der Zusammensetzung Ax[M6Z]X13 dar, das jenem der [TiO6]‐Oktaeder in der Anatas‐Struktur von TiO2 entspricht.
Diffusion of cesium chloride through thin plates of hardened cement pastes was studied. Blast‐furnace slag and condensed silica fume were used as blending admixtures in an attempt to retard the diffusion of cesium and chloride ions. The curing and diffusion temperatures were varied from 27° to 60°C, and the water/solid ratio was varied from 0.30 to 0.40. Results indicate that the cesium ion diffuses more slowly than the chloride ion in hardened cement paste systems. Blending admixtures caused a further reduction in diffusivity for both ions, which is important for preventing corrosion or restricting radionuclide transport.
Liesbet Jongen, Thomas Gloger, Jan Beekhuizen
et al.
AbstractWithin the 3×3 library of ternary alkali halides of titanium(II), ATiX3 (A = K, Rb, Cs; X = Cl, Br, I), five compounds were synthesized by conproportionation reactions. Single crystals were grown and the structures determined by single‐crystal X‐ray techniques. The halides ATiX3 crystallize either with the so‐called hexagonal perovskite type structure (CsNiCl3, 2H), or with the so‐called KNiCl3‐type of structure. This latter type allows two structural degrees of freedom. First, a shift of the colums of face‐sharing [TiCl6] octahedra against each other and, secondly, a rotation of these colums relative to each other. With these degrees of freedom, individual coordination spheres are designed for the alkali‐metal cations A+.
AbstractDie Photoelektronen(PE)‐Spektren der Thiocarbonyl‐Derivate F3CSC(S)X (X = F, Cl, SCF3) werden durch Vergleich mit denen der Verbindungen X2CS (X = F, Cl, S‐Alkyl) sowie anhand von CNDO‐Rechnungen zugeordnet. Ergebnis ist, daß die F3CS‐Gruppe in ihrer Wirkung dem Cl‐Substituenten entspricht. Von allen diskutierten Molekülen zeigt einzig F2CS eine starke σ/π‐Polarisation.
ObjectiveTo evaluate how evidence-based our daily practice was.DesignRetrospective study.SettingEmergency department of a public district hospital.Patients and MethodsBetween 1st August 2000 to 7th August 2000, 91 patients' records were chosen at random. A chief diagnosis was assigned for each patient. Corresponding treatments were reviewed by searching relevant randomised controlled trials (RCTs), systematic reviews and meta-analyses. Each patient had only one chief diagnosis but could have multiple interventions for that diagnosis.ResultsOut of 91 records, 14 were discarded. All of them had not been given any intervention and 11 required admission. For the remaining 77 records, there were 38 subjects in medical, paediatric, or gynaecological specialties and 39 in surgical or orthopaedic specialties. Intervention(s) given for each subject were then searched electronically through our hospital Knowledge Gateway and the results were expressed as either EBM-positive or EBM-negative. “EBM-positive” interventions denoted a support by RCTs. “EBM-negative” interventions denoted an absence of any supportive RCTs. Each patient might have EBM-positive and/or EBM-negative interventions together if that patient received more than one treatment. There were 52 patients (52/77 = 68%) who had one of their interventions being RCT-supported. The majority were patients with (1) antipyretic use of paracetamol in upper respiratory tract infection, or (2) control of pain by nonsteroidal anti-inflammatory drug, dologesic and paracetamol. There were 25 patients (25/77 = 32%) who did not receive any RCT-supported interventions. Concurrently 53 patients out of 77 (69%) received EBM-negative interventions. The majority were patients with (1) the use of antibiotics, antitussives and antihistamines in upper respiratory tract infection, (2) antispasmodics in gastroenteritis or patients with nonspecific abdominal pain, and (3) the use of analgesic balm in minor orthopaedic complaints.ConclusionSixty-eight percent of patients had EBM-positive interventions. Thirty-two percent of patients did not receive any EBM-positive intervention. It was quite encouraging as compared to studies in other specialties with similar design. Concurrently 69% of patients had also been given EBM-negative interventions. There were areas for improvement if we were to implement EBM practice in the emergency department.