Mostrando entradas con la etiqueta Cristalografía. Mostrar todas las entradas
Mostrando entradas con la etiqueta Cristalografía. Mostrar todas las entradas

miércoles, 30 de julio de 2014

New molecule puts scientists a step closer to understanding hydrogen storage




Australian and Taiwanese scientists have discovered a new molecule which puts the science community one step closer to solving one of the barriers to development of cleaner, greener hydrogen fuel-cells as a viable power source for cars.

Scientists say that the newly-discovered “28copper15hydride” puts us on a path to better understanding hydrogen, and potentially even how to get it in and out of a fuel system, and is stored in a manner which is stable and safe – overcoming Hindenburg-type risks.

“28copper15hydride” is certainly not a name that would be developed by a marketing guru, but while it would send many running for an encyclopaedia (or let’s face it, Wikipedia), it has some of the world’s most accomplished chemists intrigued.

Its discovery was recently featured on the cover of one of the world’s most prestigious chemistry journals, and details are being presented today by Australia’s Dr Alison Edwards at the 41st International Conference on Coordination Chemistry, Singapore where 1100 chemists have gathered..

The molecule was synthesised by a team led by Prof Chenwei Liu from the National Dong Hwa University in Taiwan, who developed a partial structure model.

The chemical structure determination was completed by the team at the Australian Nuclear Science and Technology Organisation (ANSTO) using KOALA, one of the world’s leading crystallography tools.

Most solid material is made of crystalline structures. The crystals are made up of regular arrangements of atoms stacked up like boxes in a tightly packed warehouse. The science of finding this arrangement, and structure of matter at the atomic level, is crystallography. ANSTO is Australia’s home of this science.

ANSTO’s Dr Alison Edwards is a Chemical Crystallographer at the Bragg Institute (named after William Bragg and his Australian-born son Lawrence, who were pioneers in this field). She explains the very basic (elementary, if you will!) principles behind the discovery, and the discovery itself:

Anyone with a textbook understanding of chemistry knows the term ‘hydride’ describes a compound which results when a hydrogen atom with a negative charge is combined with another element in the periodic table,” said Dr Edwards.

This study revealed that mixing certain copper (Cu) compounds with a hydride of boron (borohydride or (BH4)) - created our newly discovered “Chinese Puzzle molecule” with a new structure that has alternating layers of hydride and copper wrapped in an outer shell of protecting molecules.

Using our leading KOALA instrument – we identified that this molecule actually contained no less than 15 hydrides in the core - which is almost double the eight we were expecting.

This new molecule has an unprecedented metal hydride core it is definitely different and much more stable than many previous hydride compounds, in fact it is stable in air, which many others are not. So, we see there is probably much more yet to learn about the properties, and potential of hydride.”


The Chinese Puzzle Molecule -a twenty eight copper fifteen hydride core wrapped in dithiocarbamate

The discovery puts us one step further along a path to developing distribution infrastructure - one of four obstacles to hydrogen fuel-cell technology as a viable power source for low-carbon motor vehicles, as cited by Professor Steven Chu, Nobel Laureate and former Secretary of Energy in the United States.

The four problems in using hydrogen as fuel can be broadly understood as:
  1. Efficiency, because the process of obtaining hydrogen - H2 - costs some of the actual energy content already stored in the source of the hydrogen;
  2. Transportation and a lack of adequate mechanism to store large volumes at high density;
  3. The fuel cell technology is not yet advanced enough; and
  4. The distribution infrastructure has not been established.
ANSTO’s KOALA has been uniquely placed in developing a scientific understanding of hydrogen and the potential of hydrides, because the neutron source allows us to see the precise location of hydrogen in structures which is effectively invisible with X-rays.


This improved understanding of one aspect of the nature of hydride provides an improved fundamental understanding of an aspect of hydrogen which underpins potential technological developments – you cannot have a well-founded “hydrogen economy” unless you understand hydrogen!,” said Dr Edwards.

No one is claiming hydrogen-powered cars are imminent. Perhaps this puts us a step further down the road, but we don’t know how long the road is. What this research shows is hydrides may yet help us get hydrogen in and out of a fuel system, stored in a manner which is stable and safe – overcoming the Hindenburg-type risks.

As I said before, the implications from the research are actually broader and have impacts beyond car power sources.

“The same synthetic chemistry is being applied in the areas of gold and silver nanoparticle formation, which are currently believed to have wide-ranging potential applications in fields such as catalysis, medical diagnostics and therapeutics.”


Our result suggests there could be much more going on in gold and silver nanoclusters than is currently understood – or at the very least, there is more to be understood about the processes of nanoparticle formation. Through understanding the process, we have the prospect of controlling and even directing it.

ORIGINAL: ANSTO Australia
24/07/2014

viernes, 27 de diciembre de 2013

Ana Maria Rey, Atomic Physicist. MacArthur Fellow Class of 2013

MacArthur Fellows / Meet the Class of 2013

Ana Maria Rey. Atomic Physicist. Fellow of JILA. University of Colorado. Boulder, CO. Age: 36

Ana Maria Rey is a theoretical physicist working across the interfaces of atomic, molecular, optical, and condensed matter physics with the goal of using mathematical models to describe the complex behavior of nature. Rey is tackling this challenge through her research on ultracold optical-lattice systems, which will facilitate progress in areas such as quantum simulation and quantum information and enable the preparation of large-scale entanglement between atoms.

Through her ability and willingness to forge close collaborations across the physics community, Rey’s fundamental conceptual research in optical lattices is being leveraged by experimentalists to simulate, manipulate, and control novel states of matter, including quantum magnets, superfluids, and insulators that are important for understanding quantum phenomena like superconductivity. With colleagues, Rey is developing a comprehensive theoretical framework for an optical-lattice quantum computer based on alkaline earth metals. This effort has already proposed solutions for the key problems of storing, addressing, and transporting qubits (the quantum version of a classical bit in computing).

She is now working to resolve long-standing impediments to large-scale entanglement between atoms. A quantum computer requires entangled states—which occurs when the quantum states of two or more atoms become linked or connected—for both communication and computation. Rey’s theory offers a novel solution for maintaining coherence (or stability) in a quantum computer using unique properties of alkaline earth atoms, such as their large number of internal degrees of freedom. Rey’s collaborations with experimentalists have also enabled advances in the development of an optical atomic clock and quantum simulations with polar molecules and trapped ions, which in turn have opened up new theoretical explorations of quantum many-body effects and entanglement. Rey has started her independent career in research with significant contributions to condensed matter physics that harken a promising trajectory for novel theoretical approaches to quantum phenomena.



Ana Maria Rey received a B.S. (1999) from the Universidad de los Andes in Bogotá and a Ph.D. (2004) from the University of Maryland. She was a postdoctoral researcher (2004–2005) with the National Institute of Standards and Technology and a postdoctoral fellow (2005–2008) at the Institute for Theoretical Atomic, Molecular and Optical Physics at the Harvard-Smithsonian Center for Astrophysics, prior to joining the University of Colorado at Boulder, where she is currently a fellow at JILA and a research assistant professor in the Department of Physics.

ORIGINAL: MacArthur Foundation
September 25, 2013 

JILA
Education
University of MarylandCollege Park, Maryland, USA
Ph.D., Physics
August 2004
Dissertation Title: "Ultracold bosonic atoms in optical lattices"
Advisors: Charles W. Clark and Theodore R. Kirkpatrick
Universidad de los AndesBogota, Colombia
B.S., Physics
March 1999
Dissertation Title: "Propagation of electromagnetic radiation in Kerr's metric"
Advisors: Rafael Bautista
Academic Experience
Fellow of JILA
Assistant Professor Adjoint, Department of Physics
January 2012- Present

Associate Fellow of JILA
Assistant Professor Adjoint, Department of Physics
August 2008- 2011t

Institute of theoretical, Molecular, and optical Physics (ITAMP)
At the Harvard- Smithsonian Center for Astrophysics, Cambridge, Massachusetts, USA.
Postdoctoral fellowSeptember, 2005 - 2008

National Institute of Standards and Technology (NIST)Gaithersburg, Maryland, USA.
Postdoctoral researcher
September 2004 - September 2005

University of MarylandCollege Park, Maryland, USA.
Research Assistant
September 2000 - September 2004

Honors & Awards
Great Minds in STEM - Hispanic Engineer National Achievement Award, Award year: 2013

Related News: Ana Maria Rey Wins “Great Minds in STEM” Most Promising Scientist Award

APS Woman Physicist of the Month - APS, Award year: 2012
Related News: Ana Maria Rey selected as APS Woman Physicist of the Month

Physical and Natural Sciences Prize - Fundacion Alejandro Angel Escobar, Award year: 2007

Postdoctoral fellowship, 2005 - 2008 - ITAMP, Award year: 2005

Atomic, Molecular, and Optical Physics Outstanding Doctoral Thesis Award (DAMOP thesis prize) - American Physical Society, Award year: 2005

Cooperative Fellowship NIST/Chemical Physics, 2002 - 2004 - University of Maryland, Award year: 2002

Departmental Fellowship, 2000 - 2002 - University of Maryland, Award year: 2000

Magna cum laude B.S. Physics degree - Universidad de los Andes, Award year: 1999

Best GPA award - Universidad de los Andes, Award year: 1998

Best GPA Award - Universidad de los Andes, Award year: 1997

"Beca 40 años" Fellowship, 1994 - 1998 - Universidad de los Andes, Award year: 1994