Germanates Built from Ge(10)(O, OH)(27-28) and Ge(7)(O, OH, F)(19) Secondary Building Units: From Systematic Study of Reported Compounds to Rational Design of Novel Structures
2011 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 115, no 15, 7729-7739 p.Article in journal (Refereed) Published
Design of novel porous compounds is one of the fastest-growing fields of materials chemistry due to the broad range of application including catalysis, adsorption, and separation. Open-framework germanates have shown large structure diversity and can form structures with extra-large pores. A systematic study of the structural features of the reported germanates is a key for the design of novel porous germanates. In this work, the topological study and classification of all known germanates that are built form Ge(10)(O, OH)(27-28) (Ge(10)) or Ge(7)(O, OH, F)(19) (Ge(7)) secondary building units, has been undertaken. We have demonstrated that the combination of topological technique and data mining provides a new insights into structural chemistry of a group of compounds. We proposed an efficient and general strategy for prediction of novel structures in germanates and other chemical systems.
Place, publisher, year, edition, pages
2011. Vol. 115, no 15, 7729-7739 p.
IdentifiersURN: urn:nbn:se:su:diva-68804DOI: 10.1021/jp112270eISI: 000289403200070OAI: oai:DiVA.org:su-68804DiVA: diva2:474590
authorCount :22012-01-092012-01-072012-01-09Bibliographically approved