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991.
Zachary M. Schulte Yeon Hye Kwon Yi Han Chong Liu Lin Li Yahui Yang Austin Gamble Jarvi Sunil Saxena Gtz Veser J. Karl Johnson Nathaniel L. Rosi 《Chemical science》2020,11(47):12807
Metal–organic frameworks constructed from multiple (≥3) components often exhibit dramatically increased structural complexity compared to their 2 component (1 metal, 1 linker) counterparts, such as multiple chemically unique pore environments and a plurality of diverse molecular diffusion pathways. This inherent complexity can be advantageous for gas separation applications. Here, we report two isoreticular multicomponent MOFs, bMOF-200 (4 components; Cu, Zn, adeninate, pyrazolate) and bMOF-201 (3 components; Zn, adeninate, pyrazolate). We describe their structures, which contain 3 unique interconnected pore environments, and we use Kohn–Sham density functional theory (DFT) along with the climbing image nudged elastic band (CI-NEB) method to predict potential H2/CO2 separation ability of bMOF-200. We examine the H2/CO2 separation performance using both column breakthrough and membrane permeation studies. bMOF-200 membranes exhibit a H2/CO2 separation factor of 7.9. The pore space of bMOF-201 is significantly different than bMOF-200, and one molecular diffusion pathway is occluded by coordinating charge-balancing formate and acetate anions. A consequence of this structural difference is reduced permeability to both H2 and CO2 and a significantly improved H2/CO2 separation factor of 22.2 compared to bMOF-200, which makes bMOF-201 membranes competitive with some of the best performing MOF membranes in terms of H2/CO2 separations.Tailorable multicomponent MOFs and MOF membranes for efficient H2/CO2 separation. 相似文献
992.
Pan A Yang H Liu R Yu R Zou B Wang Z 《Journal of the American Chemical Society》2005,127(45):15692-15693
High-quality CdSxSe1-x nanobelts of variable composition (0 = x = 1) were fabricated by a simple one-step thermal evaporation route. Photoluminescence measurements showed that all the CdSxSe1-x nanobelts have a single near-bandedge emission band, and their spectral maximum positions can be tuned from approximately 508 nm (for pure CdS) to approximately 705 nm (for pure CdSe). These kinds of nanobelts may have potential applications in adjustable nano/micro photoelectric devices in the visible region. 相似文献
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996.
A new separation matrix, consisting of polymer poly(N-isopropylacrylamide) (PNIPAM) and small molecule additive mannitol, was used for double-stranded (ds) DNA and plasmid DNA separation by capillary electrophoresis. The matrix had a low viscosity, which made it very easy to handle. The additive mannitol dramatically enhanced the sieving performance of PNIPAM in TBE buffer. The optimal mannitol concentration 6% in polymer solution, was determined with the consideration of both speed and resolution. A resolution of 0.95 was achieved on the separation of 271/281 bp in the phiX174/HaeIII digest by using 1.5% PNIPAM + 6% mannitol, while the supercoiled, linear and nicked conformers of lambda plasmid were separated in 1% PNIPAM + 6% mannitol, demonstrating the potential use of this new matrix for effective DNA separations. The dramatic impact of mannitol on sieving performance of PNIPAM solution was investigated. pH dependent self-coating ability of PNIPAM was revealed. The presence of mannitol in TBE buffer decreased the pH of the buffer, which led to more efficient self-coating ability of PNIPAM probable due to the formation of hydrogen bonds between PNIPAM molecules and silanol groups at the silica wall. 相似文献
997.
Bin Liu Yan Ouyang Qing-Lun Wang Dai-Zheng Liao Zong-Hui Jiang Shi-Ping Yan 《Transition Metal Chemistry》2005,30(8):964-967
Two novel oxamidato-bridged Mn[Cu(PMoxd)]3(ClO4)2 (1) Ni[Cu(PMoxd)]3(ClO4)2 (2) tetranuclear complexes were prepared and characterized by i.r., e.p.r., electronic spectra, cyclic voltammograms, and magnetic
properties. The magnetic analysis was carried out by means of the theoretical expression of the magnetic susceptibility deduced
from the spin Hamiltonian H=−2JSM(SCu1+ SCu2 + SCu3) (M=Mn, Ni), leading to J=−20.4 cm−1; −121.1 cm−1 for complexes (1) and (2) respectively. Magnetic measurements indicate that the overall magnetic behavior of the tetranuclear species are antiferromagnetic. 相似文献
998.
Tian-Ling Ren Lin-Tao Zhang Li-Tian Liu Zhi-Jian Li 《Journal of Sol-Gel Science and Technology》2002,24(3):271-274
A novel silicon-based PbTiO3/Pb(Zr,Ti)O3/PbTiO3 (PT/PZT/PT) sandwich structure has been prepared using a sol-gel method. The annealing temperature is greatly reduced compared with those structures without PT layers. Capacitance-voltage (C-V), leakage current-voltage (I-V), polarization-field (P-E), dielectric-frequency response and polarization fatigue of the sandwich structure are examined. The relative dielectric constant, the coercive field and the remanent polarization of the PZT films are measured to be about 900, 18 kV/cm and 16 C/cm2 respectively. The current density is less than 5 × 10–9 A/cm2 below 200 kV/cm. The dielectric constant of the structure remains constant at low frequency, and decreases to some degree at high frequency. The retained polarization does not change significantly after 8 × 109 read/write cycles. The PZT films are proved to have very good dielectric and ferroelectric properties. The new PT/PZT/PT sandwich structure can be valuable for memory devices and other applications. 相似文献
999.
The multicanonical basin hopping (MUBH) method, which uses a multicanonical weight in the basin hopping (BH) Monte Carlo method, was found to be very efficient for global optimization of large-scale systems such as Lennard-Jones clusters containing more than 150 atoms. We have implemented an asynchronous parallel version of the MUBH method using the message passing interface (MPI) to take advantage of the full usage of multiprocessors in either a homogeneous or heterogeneous computational environment. Based on the intrinsic properties of the Monte Carlo method, this MPI implementation used the task parallelism to minimize interthread data communication. For a Co nanocluster consisting of N atoms, we have applied the asynchronous multicanonical basin hopping (AMUBH) method (for 181 < N < or = 200), together with BH (for 2 < or = N < 150) and MUBH (for 150 < or = N < or = 180), to search for the molecular configuration of the global energy minimum. AMUBH becomes the only practical computational scheme for locating the energy minimum within realistic computational time for a relatively large cluster. 相似文献
1000.
Y2O3和CeO2复合掺杂ZrO2纳米晶的制备与表征 总被引:2,自引:0,他引:2
以ZrOCl2.8H2O,Y2O3,Ce(NO3)3.5.5H2O为原料,NH3.H2O作沉淀剂,少量表面活性剂PE作分散剂,采用反向共沉淀-喷雾干燥法,结合物理、化学分散技术,成功地制备了Y2O3,CeO2复合掺杂ZrO2纳米粉末。通过DSC-TG,XRD,XPS,BET和SEM等方法对所制得粉末进行了表征。结果表明:以Ce0.1Y0.1Zr0.8O1.95化学计量比制备的多元氢氧化物胶体经过喷雾干燥处理后,在500℃基本完成水合氧化物的分解,577℃附近完成由非晶相向立方相的转变;经过580-1000℃煅烧后,CeO2和Y2O3已经完全固溶到ZrO2中,形成类质同相体,该粉末系列均属于立方相萤石结构;掺杂进入ZrO2晶格中的Ce呈+4价形式存在;比表面积由22.0 m^2.g^-1(580℃煅烧)减至4.97 m^2.g^-1(1000℃煅烧);SEM结果显示800℃煅烧的该粉末颗粒尺寸分布均匀,多呈类球状,且粒径在50-80 nm。 相似文献