Structural and Chemical Bonding Dependence of Mechanical Properties in a Family of Metal-Formate Coordination Polymers

2018 ◽  
Vol 18 (9) ◽  
pp. 4890-4895 ◽  
Author(s):  
Guoqiang Feng ◽  
Di Gui ◽  
Wei Li
Keyword(s):  
Mechanical Properties ◽  
Coordination Polymers ◽  
Chemical Bonding ◽  
Metal Formate

Exploring the diversity of elastic responses of crystalline cadmium(ii) coordination polymers: from elastic towards plastic and brittle responses

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mateja Pisačić ◽  
Ivan Kodrin ◽  
Ivana Biljan ◽  
Marijana Đaković
Keyword(s):  
Mechanical Properties ◽  
Coordination Polymers ◽  
Integrated Approach ◽  
Elastic Responses ◽  
Theory And Experiment

Noticeable differences in mechanically induced elastic responses were observed for isostructural crystalline coordination polymers, and their mechanical properties were examined through a highly integrated approach, using both theory and experiment.

Two-dimensional coordination polymers and metal–organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties

2016 ◽  
Vol 40 (3) ◽  
pp. 1997-2006 ◽  
Author(s):  
Kaustuv Banerjee ◽  
Kumar Biradha
Keyword(s):  
Mechanical Properties ◽  
Functional Groups ◽  
Coordination Polymers ◽  
Two Dimensional ◽  
Dye Absorption ◽  
Metal Organic

The ligands containing chelating as well as exodentate functional groups were shown to form functional coordination polymers and heterometallic gels.

scholarly journals Effects of Doped Elements (Si, Cr, W and Nb) on the Stability, Mechanical Properties and Electronic Structures of MoAlB Phase by the First-Principles Calculation

Materials ◽  
2020 ◽  
Vol 13 (19) ◽  
pp. 4221
Author(s):  
Yongxin Jian ◽  
Zhifu Huang ◽  
Yu Wang ◽  
Jiandong Xing
Keyword(s):  
Mechanical Properties ◽  
Chemical Bonding ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Formation Enthalpy ◽  
First Principles Calculation ◽  
Elemental Doping ◽  
The Stability ◽  
W Doping

First-principles calculations based on density functional theory (DFT) have been performed to explore the effects of Si, Cr, W, and Nb elements on the stability, mechanical properties, and electronic structures of MoAlB ternary boride. The five crystals, with the formulas of Mo4Al4B4, Mo4Al3SiB4, Mo3CrAl4B4, Mo3WAl4B4, and Mo3NbAl4B4, have been respectively established. All the calculated crystals are thermodynamically stable, according to the negative cohesive energy and formation enthalpy. By the calculation of elastic constants, the mechanical moduli and ductility evolutions of MoAlB with elemental doping can be further estimated, with the aid of B/G and Poisson’s ratios. Si and W doping cannot only enhance the Young’s modulus of MoAlB, but also improve the ductility to some degree. Simultaneously, the elastic moduli of MoAlB are supposed to become more isotropic after Si and W addition. However, Cr and Nb doping plays a negative role in ameliorating the mechanical properties. Through the analysis of electronic structures and chemical bonding, the evolutions of chemical bondings can be disclosed with the addition of dopant. The enhancement of B-B, Al/Si-B, and Al/Si-Mo bondings takes place after Si substitution, and W addition apparently intensifies the bonding with B and Al. In this case, the strengthening of chemical bonding after Si and W doping exactly accounts for the improvement of mechanical properties of MoAlB. Additionally, Si doping can also improve the Debye temperature and melting point of the MoAlB crystal. Overall, Si element is predicted to be the optimized dopant to ameliorate the mechanical properties of MoAlB.

Physicochemical and mechanical properties of pectin-carbon nanotubes films produced by chemical bonding

2018 ◽  
Vol 16 ◽  
pp. 8-14 ◽  
Author(s):  
Asgar Farahnaky ◽  
Sohrab Sharifi ◽  
Behnoosh Imani ◽  
Mohammad Mehdi Dorodmand ◽  
Mahsa Majzoobi
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Chemical Bonding

Mechanical properties and chemical bonding characteristics of WC and W2C compounds

2014 ◽  
Vol 40 (2) ◽  
pp. 2891-2899 ◽  
Author(s):  
YangZhen Liu ◽  
YeHua Jiang ◽  
Rong Zhou ◽  
Jing Feng
Keyword(s):  
Mechanical Properties ◽  
Chemical Bonding ◽  
Bonding Characteristics

Luminescence, chemical sensing and mechanical properties of crystalline materials based on lanthanide–sulfonate coordination polymers

RSC Advances ◽  
2016 ◽  
Vol 6 (111) ◽  
pp. 110171-110181 ◽  
Author(s):  
Richard F. D'Vries ◽  
German E. Gomez ◽  
Diego F. Lionello ◽  
M. Cecilia Fuertes ◽  
Galo J. A. A. Soler-Illia ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Coordination Polymers ◽  
Chemical Sensing ◽  
Structural Features ◽  
Crystalline Materials ◽  
Sensing Properties ◽  
Lanthanide Metals ◽  
The Relationship ◽  
Phenanthroline Ligands

The relationship between the structural features with the mechanical, luminescent and sensing properties were studied in the compounds formed from lanthanide metals, 3-hydroxinaphthalene-2,7-disulfonate and 1,10-phenanthroline ligands.

Chemical bonding and mechanical properties of M2AC (M = Ti, V, Cr, A = Al, Si, P, S) ceramics from first-principles investigations

2009 ◽  
Vol 24 (2) ◽  
pp. 556-564 ◽  
Author(s):  
Ting Liao ◽  
Jingyang Wang ◽  
Yanchun Zhou
Keyword(s):  
Mechanical Properties ◽  
Chemical Bonding ◽  
First Principles ◽  
General Trend ◽  
Elastic Stiffness ◽  
Group Element ◽  
Max Phase ◽  
Early Transition Metal ◽  
The Relationship ◽  
Bonding Characteristic

MAX-phase carbides (M is an early transition metal, A is an A-group element) exhibit an interesting bonding characteristic of alternative stacking of strong M–C bonds and relatively weak M–A bonds in one direction. In the present first-principles total energy calculations, we establish the relationship between mechanical properties and electronic structure for ternary M2AC (M = Ti, V, Cr, A = Al, Si, P, S) carbides. By systematically tuning elements on the M and A sites, pronounced enhancements of bulk modulus, elastic stiffness, and ideal shear strength are achieved in V-containing V2AC (A = Al, Si, P, and S) carbides. It is suggested that tailoring on the A site is more efficient than on the M site in strengthening the mechanical properties of studied serial carbides. The results highlight a general trend for tailor-made mechanical properties of ternary M2AC carbides by control of chemical bonding.

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