Award Abstract #0321284
Acquisition of an X-Ray Diffractometer for Materials Research

NSF Org:	DMR Division of Materials Research
Initial Amendment Date:	July 10, 2003
Latest Amendment Date:	July 10, 2003
Award Number:	0321284
Award Instrument:	Standard Grant
Program Manager:	Charles E. Bouldin DMR Division of Materials Research MPS Directorate for Mathematical & Physical Sciences
Start Date:	September 1, 2003
Expires:	August 31, 2004 (Estimated)
Awarded Amount to Date:	$203000
Investigator(s):	Branton Campbell branton@byu.edu (Principal Investigator) Juliana Boerio-Goates (Co-Principal Investigator) Roger Harrison (Co-Principal Investigator)
Sponsor:	Brigham Young University A-285 ASB Provo, UT 84602 801/422-6177
NSF Program(s):	MAJOR RESEARCH INSTRUMENTATION
Field Application(s):	0106000 Materials Research
Program Reference Code(s):	AMPP, 9161
Program Element Code(s):	1189

ABSTRACT

This grant supports the acquisition of a Bruker-Nonius X8 APEX x-ray diffractometer with a KYRO-FLEX low-temperature attachment, which will be used as a structural characterization tool. The new area detector- equipped diffractometer will enhance existing capabilities, create new educational opportunities, and provide the means to initiate new research directions. The PIs share a common interest in the synthesis and physical behavior of nanoporous materials and bring a well-rounded combination of expertise to the collaboration. A modern X-ray diffractometer will enable systematic exploration of the synthesis and structural modification of porous metal-organic phases, zeolites, zeolite framework analogues, and mesoporous structures. Due to highly shape selective host-guest interactions, nanoporous materials have become essential to basic technologies such as ion exchange, chemical separation and heterogeneous catalysis. Research directions will include new synthetic routes, the effects of framework defects and disorder on shape-selective processes, and the role of structure-directing agents in effecting phase transitions and phase stability. Structural information will be combined with other physical property measurements including calorimetry, thermal gravimetry, ionic conductivity, mass-spectrometry, and solid-state NMR. Because crystal size and quality are often the principal bottlenecks to progress, the sensitivity of the APEX CCD detector, coupled with state-of-the-art x-ray optics, will make it possible to study unique samples that would previously have been abandoned or farmed out to laboratories with more modern equipment. This highly versatile instrument is suited to both single-crystal and powder diffraction applications and will be used by the PIs for structure determination, phase identification, variable-temperature structural analysis, and three-dimensional diffuse-scattering studies.

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Rapid data collection, the highly visual nature of two-dimensional diffraction images, a user- friendly interface for non-specialists, and modern analytical software make the instrument an excellent educational tool for students. The PIs will use it to train both their graduate and undergraduate students in the essentials of crystallography and diffraction. The C&B department has committed to devoting a portion of its Instrument Analysis Laboratory course, which is required of all undergraduate chemistry majors, to single-crystal and powder diffraction experiments. Furthermore, the P&A, C&B, and geology departments have agreed to share responsibility for a special topics course on Crystallography and Diffraction that will provide specialized training on the new diffractometer. This course will be designed for both upper-level undergraduates and graduate students, and will be offered once every other year. The new instrument will impact both women and minority students, as both the P&A and C&B departments regularly participate in the university's program to recruit minority high school seniors and actively recruit female research assistants from their undergraduate classes. To maximize its benefit, the new diffractometer will also be made available to other research groups at BYU and nearby Utah Valley State College.

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