Understanding Vibrational Anharmonicity and Phonon Dispersion in Solid Ammonia Borane

2012 ◽  
Vol 116 (9) ◽  
pp. 5926-5931 ◽  
Author(s):  
Shawn M. Kathmann ◽  
Christopher J. Mundy ◽  
Gregory K. Schenter ◽  
Tom Autrey ◽  
Philippe C. Aeberhard ◽  
...  
Keyword(s):  
Phonon Dispersion ◽  
Ammonia Borane ◽  
Vibrational Anharmonicity ◽  
Solid Ammonia

scholarly journals The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study

2019 ◽  
Vol 58 (12) ◽  
pp. 3976-3980 ◽  
Author(s):  
Valerio Rizzi ◽  
Daniela Polino ◽  
Emilia Sicilia ◽  
Nino Russo ◽  
Michele Parrinello
Keyword(s):  
Ab Initio ◽  
Ammonia Borane ◽  
Solid Ammonia

Kinetics study of solid ammonia borane hydrogen release – modeling and experimental validation for chemical hydrogen storage

2014 ◽  
Vol 16 (17) ◽  
pp. 7959-7968 ◽  
Author(s):  
Young Joon Choi ◽  
Ewa C. E. Rönnebro ◽  
Scot Rassat ◽  
Abhi Karkamkar ◽  
Gary Maupin ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Experimental Validation ◽  
Ammonia Borane ◽  
Hydrogen Release ◽  
Kinetics Study ◽  
Hydrogen Capacity ◽  
Chemical Hydrogen Storage ◽  
Solid Ammonia

Hydrogen capacity and bulk kinetics comparisons of ammonia borane at 160 °C, 200 °C, 250 °C and 300 °C.

Hydrolysis of solid ammonia borane

2010 ◽  
Vol 195 (13) ◽  
pp. 4030-4035 ◽  
Author(s):  
Umit B. Demirci ◽  
Philippe Miele
Keyword(s):  
Ammonia Borane ◽  
Hydrolysis Of ◽  
Solid Ammonia

Structural and Dynamical Properties of Phase I of Solid Ammonia Borane

2014 ◽  
Vol 118 (33) ◽  
pp. 19266-19272 ◽  
Author(s):  
Liancheng Wang ◽  
Qingchun Wu ◽  
Aiping Zhou
Keyword(s):  
Phase I ◽  
Ammonia Borane ◽  
Dynamical Properties ◽  
Solid Ammonia

Structural and dynamical properties of solid ammonia borane under high pressure

2011 ◽  
Vol 134 (2) ◽  
pp. 024517 ◽  
Author(s):  
Liancheng Wang ◽  
Kuo Bao ◽  
Xing Meng ◽  
Xiaoli Wang ◽  
Tingting Jiang ◽  
...  
Keyword(s):  
High Pressure ◽  
Ammonia Borane ◽  
Dynamical Properties ◽  
Solid Ammonia

scholarly journals The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study

2019 ◽  
Vol 131 (12) ◽  
pp. 4016-4020 ◽  
Author(s):  
Valerio Rizzi ◽  
Daniela Polino ◽  
Emilia Sicilia ◽  
Nino Russo ◽  
Michele Parrinello
Keyword(s):  
Ab Initio ◽  
Ammonia Borane ◽  
Solid Ammonia
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