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1.
Liangtao Yang Liang-Yin Kuo Juan Miguel López del Amo Prasant Kumar Nayak Katherine A. Mazzio Sebastian Maletti Daria Mikhailova Lars Giebeler Payam Kaghazchi Teófilo Rojo Philipp Adelhelm 《Advanced functional materials》2021,31(38):2102939
A known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na0.67Mn0.6Ni0.2Li0.2O2 is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g-1 after 100 cycles. In contrast, the Li-free compositions Na0.67Mn0.6Ni0.4O2 and Na0.67Mn0.8Ni0.2O2 show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni3+/Ni4+ and O2-/O2-δ redox processes by DFT, although a small contribution from Mn4+/Mn5+ to the capacity cannot be excluded. 相似文献
2.
Dr. Sabin Llona‐Minguez Dr. Matthieu Desroses Artin Ghassemian Dr. Sylvain A. Jacques Dr. Lars Eriksson Rebecka Isacksson Tobias Koolmeister Dr. Pål Stenmark Dr. Martin Scobie Prof. Thomas Helleday 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(20):7394-7398
A two‐step synthesis of structurally diverse pyrrole‐containing bicyclic systems is reported. ortho‐Nitro‐haloarenes coupled with vinylic N‐methyliminodiacetic acid (MIDA) boronates generate ortho‐vinyl‐nitroarenes, which undergo a “metal‐free” nitrene insertion, resulting in a new pyrrole ring. This novel synthetic approach has a wide substrate tolerance and it is applicable in the preparation of more complex “drug‐like” molecules. Interestingly, an ortho‐nitro‐allylarene derivative furnished a cyclic β‐aminophosphonate motif. 相似文献
3.
Dr. Sebastian Lars Müller Xinglong Zhou Dr. Peter Leonard Oxana Korzhenko Dr. Constantin Daniliuc Prof. Dr. Frank Seela 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(12):3077-3090
Silver-mediated α-dC–Ag+–β-dC hybrid base pairs decorated with 5-iodo- or 5-octadiynyl residues are well accommodated in duplex DNA. A strong Tm increase and favorable thermodynamic data for duplex DNA were observed after addition of silver ions. The phenomenon is particularly obvious when both nucleobases of the base pairs are functionalized. Neither the position of the base pair, nor the type of 5-substituent had a negative influence. On the contrary, functionalization of conventional silver-mediated β-dC–Ag+–β-dC homo base pairs showed a negative impact induced by the bulky substituents. To this end, cytosine modified 12-mer oligodeoxynucleotides were prepared by solid-phase synthesis employing new α-anomeric 2′-deoxycytidine phosphoramidites. A multigram scale synthesis was developed for 5-iodo-α-d -2′-deoxycytidine ( 1 ) employing the direct glycosylation of cytosine with Hoffer's α-d -halogenose followed by separation of anomeric DMT nucleosides. Regarding base-pair stability and functionalization silver-mediated α/β-dC hybrid base pairs were found to be superior to β/β-dC homo pairs. According to their extraordinary properties, they might find applications in DNA diagnostics, material science, or nanotechnology. 相似文献
4.
5.
Emiliana Damian Lars Eriksson Magnus Sandstrm 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m419-m420
Sodium trichloromethanesulfonate monohydrate, Na+·CCl3SO3−·H2O, crystallizes in P21/a with all the atoms located in general positions. The trichloromethanesulfonate (trichlate) anion consists of pyramidal SO3 and CCl3 groups connected via an S—C bond in a staggered conformation with approximate C3v symmetry. The water molecule is hydrogen bonded to the sulfonate O atoms, with one water H atom forming weak bifurcated O—H⋯O hydrogen bonds to two different trichlate ions. Two water O atoms and three O atoms from different SO3 groups form a square‐pyramidal arrangement around the sodium ion. 相似文献
6.
Thomas Pautzsch Lars Blankenburg Elisabeth Klemm 《Journal of polymer science. Part A, Polymer chemistry》2004,42(3):722-732
A series of novel π-conjugated polymers containing ruthenium bipyridine complexes was synthesized by a cross-coupling reaction and characterized. These polymers exhibit absorption maxima around 330–350 nm (π-π*) and 460–500 nm metal-to-ligand charge transfer (MLCT), respectively. They are soluble in common organic solvents, and all polymers can be converted into transparent films. We investigated the influence of different donating and acceptor diethynylarenes of the ultraviolet-visible spectra. The oxidation potential, which was measured by cyclic- and square-wave voltametry, showed a typical Ru2+/3+ exhibited at 1.25 V versus the saturated calomel electrode. The polymers were further characterized with photoluminescence measurements. When excited at 442 nm ( 11a ), the polymer exhibited an emission peak at 690 nm. This peak was attributed to the MLCT states. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 722–732, 2004 相似文献
7.
We present a method that formally calculates exact frequency shifts of an electromagnetic field for arbitrary changes in the refractive index. The possible refractive index changes include both anisotropic changes and boundary shifts. Degenerate eigenmode frequencies pose no problems in the presented method. The approach relies on operator algebra to derive an equation for the frequency shifts, which eventually turn out in a simple and physically sound form. Numerically the equations are well-behaved, easy implementable, and can be solved very fast. Like in perturbation theory a reference system is first considered, which then subsequently is used to solve another related, but different system. For our method precision is only limited by the reference system basis functions and the error induced in frequency is of second order for first-order basis set error. As an example we apply our method to the problem of variations in the air-hole diameter in a photonic crystal fiber. 相似文献
8.
9.
Lars Eirik Danielsen 《Journal of Combinatorial Theory, Series A》2006,113(7):1351-1367
We consider additive codes over GF(4) that are self-dual with respect to the Hermitian trace inner product. Such codes have a well-known interpretation as quantum codes and correspond to isotropic systems. It has also been shown that these codes can be represented as graphs, and that two codes are equivalent if and only if the corresponding graphs are equivalent with respect to local complementation and graph isomorphism. We use these facts to classify all codes of length up to 12, where previously only all codes of length up to 9 were known. We also classify all extremal Type II codes of length 14. Finally, we find that the smallest Type I and Type II codes with trivial automorphism group have length 9 and 12, respectively. 相似文献
10.
Martin E. V. Pedersen Lars S. Rishøj Henrik Steffensen Sanshui Xiao Niels Asger Mortensen 《Optical and Quantum Electronics》2007,39(10-11):903-911
Slow-light enhanced optical detection in liquid-infiltrated photonic crystals is theoretically studied. Using a scattering-matrix approach and the Wigner–Smith delay time concept, we show that optical absorbance benefits both from slow-light phenomena as well as a high filling factor of the energy residing in the liquid. Utilizing strongly dispersive photonic crystal structures, we numerically demonstrate how liquid-infiltrated photonic crystals facilitate enhanced light–matter interactions, by potentially up to an order of magnitude. The proposed concept provides strong opportunities for improving existing miniaturized absorbance cells for optical detection in lab-on-a-chip systems. 相似文献