4.6 Article

First-principles study of the formation and migration of native defects in LiNH2BH3

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Density Functional Study of Electronic, Bonding, and Vibrational Properties of Ca(NH2BH3)2

Ch. Bheema Lingam et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Multidisciplinary

Sodium magnesium amidoborane: the first mixed-metal amidoborane

Hui Wu et al.

CHEMICAL COMMUNICATIONS (2011)

Article Chemistry, Inorganic & Nuclear

Na[Li(NH2BH3)(2)] - the first mixed-cation amidoborane with unusual crystal structure

Karol J. Fijalkowski et al.

DALTON TRANSACTIONS (2011)

Article Chemistry, Physical

Electronic Structure and Optical Properties of Ca(NH2BH3)2 Studied from GW Calculations

Ch. Bheema Lingam et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Chemistry, Physical

Intrinsic defects and dopants in LiNH2: a first-principles study

E. Hazrati et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Materials Science, Multidisciplinary

Native defects in LiNH2: A first-principles study

Jianchuan Wang et al.

PHYSICAL REVIEW B (2011)

Review Chemistry, Multidisciplinary

Ammonia-Borane and Related Compounds as Dihydrogen Sources

Anne Staubitz et al.

CHEMICAL REVIEWS (2010)

Article Chemistry, Inorganic & Nuclear

Hydrogen Release Studies of Alkali Metal Amidoboranes

Avery T. Luedtke et al.

INORGANIC CHEMISTRY (2010)

Review Chemistry, Multidisciplinary

B-N compounds for chemical hydrogen storage

Charles W. Hamilton et al.

CHEMICAL SOCIETY REVIEWS (2009)

Article Chemistry, Multidisciplinary

Hydrogen-Release Mechanisms in Lithium Amidoboranes

Dong Young Kim et al.

CHEMISTRY-A EUROPEAN JOURNAL (2009)

Article Chemistry, Inorganic & Nuclear

Mechanistic Study of LiNH2BH3 Formation from (LiH)4 + NH3BH3 and Subsequent Dehydrogenation

Tae Bum Lee et al.

INORGANIC CHEMISTRY (2009)

Article Chemistry, Inorganic & Nuclear

Oligomerization and Autocatalysis of NH2BH2 with Ammonia-Borane

Paul M. Zimmerman et al.

INORGANIC CHEMISTRY (2009)

Article Chemistry, Physical

The role of interstitial H-2 in hydrogen diffusion in light metal borohydrides

Shiqiang Hao et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

Article Materials Science, Multidisciplinary

First-principles study of the formation and migration of native defects in NaAlH4

Gareth B. Wilson-Short et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Band structures and native defects of ammonia borane

D. West et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Formation and migration of charged native point defects in MgH2: First-principles calculations

Min Sik Park et al.

PHYSICAL REVIEW B (2009)

Article Chemistry, Multidisciplinary

Ammonia borane destabilized by lithium hydride: An advanced on-board hydrogen storage material

Xiangdong Kang et al.

ADVANCED MATERIALS (2008)

Article Physics, Applied

Hydrogen diffusion in MgH2 and NaMgH3 via concerted motions of charged defects

Shiqiang Hao et al.

APPLIED PHYSICS LETTERS (2008)

Article Chemistry, Multidisciplinary

Alkali and Alkaline-Earth Metal Amidoboranes: Structure, Crystal Chemistry, and Hydrogen Storage Properties

Hui Wu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Physical

High-capacity hydrogen storage in lithium and sodium amidoboranes

Zhitao Xiong et al.

NATURE MATERIALS (2008)

Article Materials Science, Multidisciplinary

Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study

Amra Peles et al.

PHYSICAL REVIEW B (2007)

Review Chemistry, Multidisciplinary

Complex hydrides for hydrogen storage

Shin-ichi Orimo et al.

CHEMICAL REVIEWS (2007)

Article Chemistry, Multidisciplinary

Will we soon be fueling our automobiles with ammonia-borane?

Todd B. Marder

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Article Chemistry, Multidisciplinary

Calcium amidotrihydroborate: A hydrogen storage material

Himashime V. K. Diyabalanage et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Review Physics, Applied

First-principles calculations for defects and impurities: Applications to III-nitrides

CG Van de Walle et al.

JOURNAL OF APPLIED PHYSICS (2004)

Review Chemistry, Multidisciplinary

Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen

W Grochala et al.

CHEMICAL REVIEWS (2004)

Article Materials Science, Multidisciplinary

First-principles calculations of intrinsic defects in Al2O3 -: art. no. 085110

K Matsunaga et al.

PHYSICAL REVIEW B (2003)

Review Multidisciplinary Sciences

Hydrogen-storage materials for mobile applications

L Schlapbach et al.

NATURE (2001)

Article Chemistry, Physical

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)