Advanced functional materials based on bamboo cellulose fibers with different crystal structures

2021 ◽  
pp. 106758
Author(s):  
Qiuqin Lin ◽  
Peng Jiang ◽  
Suhong Ren ◽  
Shiqin Liu ◽  
Yaohui Ji ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Functional Materials ◽  
Cellulose Fibers

Tartrate-stabilized titanium-oxo clusters containing sulfonate chromophore ligands: Synthesis, crystal structures and photochemical properties

2021 ◽  
Author(s):  
Wen-Yu Mou ◽  
Bin Xie ◽  
Xiaolong Li ◽  
Chuan Lai ◽  
Tao Li ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Functional Materials ◽  
New Type ◽  
Photochemical Properties ◽  
Novel Structures

Titanium-oxo clusters (TOCs), as a new type of molecular functional materials, have become one of the key research contents due to their novel structures and fascinating properties. Herein, two new...

Crystal structures and electronic properties of Sn3N4 polymorphs synthesized via high-pressure nitridation of tin

CrystEngComm ◽  
2020 ◽  
Vol 22 (20) ◽  
pp. 3531-3538
Author(s):  
Ken Niwa ◽  
Tomoya Inagaki ◽  
Tetsu Ohsuna ◽  
Zheng Liu ◽  
Takuya Sasaki ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Crystal Structures ◽  
Crystal Chemistry ◽  
Diamond Anvil Cell ◽  
Functional Materials ◽  
Group Iva ◽  
Diamond Anvil ◽  
Laser Heated ◽  
Insight Into

Sn3N4 polymorphs were synthesized via high-pressure nitridation of tin by means of laser-heated diamond anvil cell technique. This implies new insight into the crystal chemistry and functional materials of group IVA nitrides.

Functional Materials from Paper Wastes: I. From Waste Newsprint Paper and Cardboard to High-Grade Cellulose Fibers

2019 ◽  
Vol 45 (7) ◽  
pp. 888-894
Author(s):  
A. M. Mikhailidi ◽  
Sh. Karim Saurov ◽  
V. I. Markin ◽  
N. E. Kotelnikova
Keyword(s):  
Functional Materials ◽  
Cellulose Fibers ◽  
High Grade

Functionalization of wood/plant-based natural cellulose fibers with nanomaterials: a review

TAPPI Journal ◽  
2018 ◽  
Vol 17 (02) ◽  
pp. 92-111 ◽  
Author(s):  
Charu Agarwal ◽  
Levente Csoka
Keyword(s):  
Noble Metals ◽  
Tin Dioxide ◽  
Carbon Nanomaterials ◽  
Point Of Care ◽  
Functional Materials ◽  
Cellulose Fibers ◽  
Sensing Applications ◽  
Natural Cellulose ◽  
Macro Scale ◽  
Disposable Device

Being the most abundant natural biopolymer on earth, cellulose has been vastly exploited in a range of applications, from writing paper to high-end biosensors. Natural cellulose fibers can be isolated from wood or non-woody plants such as hemp, jute, flax, and bamboo by chemical or mechanical treatments. To make it suitable for targeted applications, cellulose fibers are modified with functional moieties in the nanometer scale. Cellulose has been functionalized with noble metals such as silver and gold nanoparticles for catalysis and antimicrobial applications. A number of metal oxides, such as zinc oxide, titanium dioxide, and tin dioxide have been incorporated into cellulose. The porosity, hydrophilicity, and roughness of cellulose surface makes it an ideal substrate for a plethora of sensing applications. Further, it can be made into a lightweight, portable, foldable, and disposable device, which provides an excellent platform for various point-of-care purposes. Cellulose fibers have also been immobilized with carbon nanomaterials, including carbon nanotubes and graphene oxide. For optical applications, [Fe(hptrz)3](OTs)2 spin-crossover nanoparticles have also been immobilized on cellulose fibers. Likewise, many enzymes, macromolecules, and some polymers have been used to modify natural cellulose for specific end uses. This review focuses on recent developments in the modification or immobilization of functional materials on cellulose fibers, in macro-scale only, obtained from wood or plant sources.

Discovery of elusive structures of multifunctional transition-metal borides

Nanoscale ◽  
2016 ◽  
Vol 8 (2) ◽  
pp. 1055-1065 ◽  
Author(s):  
Yongcheng Liang ◽  
Zhaobing Wu ◽  
Xun Yuan ◽  
Wenqing Zhang ◽  
Peihong Zhang
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
Functional Materials ◽  
Important Prerequisite ◽  
Metal Borides

A definitive determination of crystal structures is an important prerequisite for designing and exploiting new functional materials. We find that the long-assumed TMB2phases of multifunctional tungsten and molybdenum borides are in fact a family of complex TMB3polytypes.

scholarly journals Synthesis and crystal structures of multifunctional tosylates as basis for star-shaped poly(2-ethyl-2-oxazoline)s

2010 ◽  
Vol 6 ◽  
pp. 773-783 ◽  
Author(s):  
Richard Hoogenboom ◽  
Martin W M Fijten ◽  
Guido Kickelbick ◽  
Ulrich S Schubert
Keyword(s):  
Crystal Structures ◽  
Ring Opening ◽  
Functional Materials ◽  
Diode Array ◽  
X Ray ◽  
H Nmr ◽  
Tosyl Chloride ◽  
Array Detectors ◽  
Polymer Architectures ◽  
Cationic Ring Opening Polymerization

The synthesis of well-defined polymer architectures is of major importance for the development of complex functional materials. In this contribution, we discuss the synthesis of a range of multifunctional star-shaped tosylates as potential initiators for the living cationic ring-opening polymerization (CROP) of 2-oxazolines resulting in star-shaped polymers. The synthesis of the tosylates was performed by esterification of the corresponding alcohols with tosyl chloride. Recrystallization of these tosylate compounds afforded single crystals, and the X-ray crystal structures of di-, tetra- and hexa-tosylates are reported. The use of tetra- and hexa-tosylates, based on (di)pentaerythritol as initiators for the CROP of 2-ethyl-2-oxazoline, resulted in very slow initiation and ill-defined polymers, which is most likely caused by steric hindrance in these initiators. As a consequence, a porphyrin-cored tetra-tosylate initiator was prepared, which yielded a well-defined star-shaped poly(2-ethyl-2-oxazoline) by CROP as demonstrated by SEC with RI, UV and diode-array detectors, as well as by 1H NMR spectroscopy.

scholarly journals Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 750
Author(s):  
Nicolas Zapp ◽  
Denis Sheptyakov ◽  
Holger Kohlmann
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
Computational Chemistry ◽  
Crystal Structures ◽  
Functional Materials ◽  
Structure Type ◽  
Solid State Reactions ◽  
X Ray ◽  
Synthesis Conditions ◽  
Phase Width

Heteroanionic hydrides offer great possibilities in the design of functional materials. For ternary rare earth hydride oxide REHO, several modifications were reported with indications for a significant phase width with respect to H and O of the cubic representatives. We obtained DyHO and ErHO as well as the thus far elusive LuHO from solid-state reactions of RE2O3 and REH3 or LuH3 with CaO and investigated their crystal structures by neutron and X-ray powder diffraction. While DyHO, ErHO, and LuHO adopted the cubic anion-ordered half-Heusler LiAlSi structure type (F4¯3m, a(DyHO) = 5.30945(10) Å, a(ErHO) = 5.24615(7) Å, a(LuHO) = 5.171591(13) Å), LuHO additionally formed the orthorhombic anti-LiMgN structure type (Pnma; LuHO: a = 7.3493(7) Å, b = 3.6747(4) Å, c = 5.1985(3) Å; LuDO: a = 7.3116(16) Å, b = 3.6492(8) Å, c = 5.2021(7) Å). A comparison of the cubic compounds’ lattice parameters enabled a significant distinction between REHO and REH1+2xO1−x (x < 0 or x > 0). Furthermore, a computational chemistry study revealed the formation of REHO compounds of the smallest rare earth elements to be disfavored in comparison to the sesquioxides, which is why they may only be obtained by mild synthesis conditions.

scholarly journals Control and prediction of the organic solid state: a challenge to theory and experiment

2018 ◽  
Vol 474 (2217) ◽  
pp. 20180351 ◽  
Author(s):  
Sarah L. Price
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Structure Prediction ◽  
Computer Modelling ◽  
Experimental Studies ◽  
Functional Materials ◽  
Crystal Structure Prediction ◽  
Organic Solid ◽  
Kinetic Effects ◽  
Organic Solid State

The ability of theoretical chemists to quantitatively model the weak forces between organic molecules is being exploited to predict their crystal structures and estimate their physical properties. Evolving crystal structure prediction methods are increasingly being used to aid the design of organic functional materials and provide information about thermodynamically plausible polymorphs of speciality organic materials to aid, for example, pharmaceutical development. However, the increasingly sophisticated experimental studies for detecting the range of organic solid-state behaviours provide many challenges for improving quantitative theories that form the basis for the computer modelling. It is challenging to calculate the relative thermodynamic stability of different organic crystal structures, let alone understand the kinetic effects that determine which polymorphs can be observed and are practically important. However, collaborations between experiment and theory are reaching the stage of devising experiments to target the first crystallization of new polymorphs or create novel organic molecular materials.

scholarly journals Anomalous scaling law of strength and toughness of cellulose nanopaper

2015 ◽  
Vol 112 (29) ◽  
pp. 8971-8976 ◽  
Author(s):  
Hongli Zhu ◽  
Shuze Zhu ◽  
Zheng Jia ◽  
Sepideh Parvinian ◽  
Yuanyuan Li ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Scaling Law ◽  
Functional Materials ◽  
Material Design ◽  
Cellulose Fibers ◽  
Building Blocks ◽  
General Mechanism ◽  
Intrinsic Defect ◽  
Cellulose Nanopaper ◽  
Strength And Toughness

The quest for both strength and toughness is perpetual in advanced material design; unfortunately, these two mechanical properties are generally mutually exclusive. So far there exists only limited success of attaining both strength and toughness, which often needs material-specific, complicated, or expensive synthesis processes and thus can hardly be applicable to other materials. A general mechanism to address the conflict between strength and toughness still remains elusive. Here we report a first-of-its-kind study of the dependence of strength and toughness of cellulose nanopaper on the size of the constituent cellulose fibers. Surprisingly, we find that both the strength and toughness of cellulose nanopaper increase simultaneously (40 and 130 times, respectively) as the size of the constituent cellulose fibers decreases (from a mean diameter of 27 μm to 11 nm), revealing an anomalous but highly desirable scaling law of the mechanical properties of cellulose nanopaper: the smaller, the stronger and the tougher. Further fundamental mechanistic studies reveal that reduced intrinsic defect size and facile (re)formation of strong hydrogen bonding among cellulose molecular chains is the underlying key to this new scaling law of mechanical properties. These mechanistic findings are generally applicable to other material building blocks, and therefore open up abundant opportunities to use the fundamental bottom-up strategy to design a new class of functional materials that are both strong and tough.

Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties

2021 ◽  
Vol 77 (6) ◽  
Author(s):  
Joanna Wojnarska ◽  
Marlena Gryl ◽  
Tomasz Seidler ◽  
Katarzyna Marta Stadnicka
Keyword(s):  
Optical Properties ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Electron Density ◽  
Intermolecular Interactions ◽  
Second Harmonic ◽  
Functional Materials ◽  
Linear Birefringence ◽  
Structure Property ◽  
Second Harmonic Generation Efficiency

The polar hydrochlorothiazide polymorph (I) (systematic name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide, C7H8ClN3O4S2) and, recently designed by us, the polar 2-aminopyridine hydrochlorothiazide water <1/1/1> (C7H8ClN3O4S2·C5H6N2·H2O), (II), have been investigated. The crystal structures of both materials were determined using the single-crystal X-ray diffraction technique. The intermolecular interactions in (I) and (II) were studied in detail via topological electron-density analysis. The obtained results showed hydrogen bonds with a character intermediate between closed-shell and shared-shell in both crystal structures. The most important hydrogen bonds in (I) are formed between sulfonamide groups, whereas in (II), water molecules play a crucial role as they interconnect 2-aminopyridine and hydrochlorothiazide molecules. Calculations of the optical properties revealed that both materials exhibit large linear birefringence, twice that of calcite. The theoretically predicted second harmonic generation efficiency is four times and five times larger than that of KH2PO4 for (I) and (II), respectively. The information gathered on intermolecular interactions and structure–property correlations was used to identify the best strategies for the future design of new functional materials of this kind.

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