2016
DOI: 10.1039/c6sc00123h
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Genetic engineering of inorganic functional modular materials

Abstract: In silico enumeration and interpretation of the stacking sequences of layer modules facilitates the innovation of new inorganic functional materials.

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Cited by 10 publications
(6 citation statements)
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References 92 publications
(53 reference statements)
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“…The diverse structures of the conventional porous frameworks including zeolites and MOFs are usually obtained heuristically. In zeolite frameworks, the angles of the oxygen bridges that connect the adjacent tetrahedral atoms can be varied to create different structures. Although the targeted structural design and porosity control of MOFs can be achieved using the strategy of isoreticular synthesis with expanded or decorated ligands (IRMOFs), , the structural diversity of the secondary building unit (SBU) simultaneously enriches the MOF structures and impedes structural prediction. The building units of PAFs that are used in their design and synthesis have individualized geometry and the chemical connectivity in the coupling reactions is explicit.…”
Section: Design Principles and Synthesis Of Pafsmentioning
confidence: 99%
“…The diverse structures of the conventional porous frameworks including zeolites and MOFs are usually obtained heuristically. In zeolite frameworks, the angles of the oxygen bridges that connect the adjacent tetrahedral atoms can be varied to create different structures. Although the targeted structural design and porosity control of MOFs can be achieved using the strategy of isoreticular synthesis with expanded or decorated ligands (IRMOFs), , the structural diversity of the secondary building unit (SBU) simultaneously enriches the MOF structures and impedes structural prediction. The building units of PAFs that are used in their design and synthesis have individualized geometry and the chemical connectivity in the coupling reactions is explicit.…”
Section: Design Principles and Synthesis Of Pafsmentioning
confidence: 99%
“…Development of advanced materials for capture and sequestration of harmful/greenhouse gas molecules from ambient atmosphere is becoming an intensive research topic. Such advanced materials are in high demand in various fields such as environmental protection. To date, design and optimization of new adsorbing materials have been mainly based on the so-called “trial-and-error” method. Besides being labor-intensive and time-consuming, using the trial-and-error method is difficult to improve the material to reach the best performance. CO 2 capture material is taken as an example.…”
mentioning
confidence: 99%
“…This periodicity doubles, triples and quadruples in the 4H, 6H and 8H polytypes, respectively. The family of rhombohedral polytypes is labeled with R, for example 9R, 12R and 15R (Mardix, 1986;Lee et al, 2006;Morkoç et al, 1994;Li & Yu, 2016;Pá rtay et al, 2017). With the increase of the polytype number, the stacking sequences become more complex, e.g.…”
Section: Resultsmentioning
confidence: 99%
“…Usually, the individual layers constituting the polytypes are structurally identical, however, the position of these layers relative to their neighboring layers can vary, leading to a multitude of stacking variants. Although there exist quite a number of examples of compounds crystallizing in several such polytypes (Mardix, 1986;Lee et al, 2006;Morkoç et al, 1994;Li & Yu, 2016;Pá rtay et al, 2017), it is not as common a phenomenon in experimental materials science as one would expect and there are still many unanswered questions, e.g. why do some compounds show polytypic behavior and others do not?…”
Section: Introductionmentioning
confidence: 99%