First-principles study of hydrogen absorption on Mg(0001) and formation of magnesium hydride

Tao Jiang; Li-Xian Sun; Wei-Xue Li

doi:10.1103/physrevb.81.035416

First-principles study of hydrogen absorption on Mg(0001) and formation of magnesium hydride

Physical Review B ◽

10.1103/physrevb.81.035416 ◽

2010 ◽

Vol 81 (3) ◽

Cited By ~ 24

Author(s):

Tao Jiang ◽

Li-Xian Sun ◽

Wei-Xue Li

Keyword(s):

First Principles ◽

Hydrogen Absorption ◽

Magnesium Hydride ◽

First Principles Study

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A first-principles study on interaction of Mg/Ni interface and its hydrogen absorption characteristics

Surface Science ◽

10.1016/j.susc.2016.03.001 ◽

2016 ◽

Vol 649 ◽

pp. 133-137 ◽

Cited By ~ 4

Author(s):

Yuying Chen ◽

Jianhong Dai ◽

Ruiwen Xie ◽

Yan Song

Keyword(s):

First Principles ◽

Hydrogen Absorption ◽

First Principles Study ◽

Absorption Characteristics

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First-principles study of the hydrogen absorption at Σ5 symmetrical tilt grain boundary in B2-TiFe alloy

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2012.01.040 ◽

2012 ◽

Vol 37 (8) ◽

pp. 6666-6673 ◽

Cited By ~ 12

Author(s):

S.E. Kulkova ◽

S.S. Kulkov ◽

A.V. Bakulin ◽

S. Hocker ◽

S. Schmauder

Keyword(s):

Grain Boundary ◽

First Principles ◽

Hydrogen Absorption ◽

First Principles Study ◽

Symmetrical Tilt ◽

Tilt Grain Boundary

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Hydrogen absorption in bulk BC3: A first-principles study

The Journal of Chemical Physics ◽

10.1063/1.2802338 ◽

2007 ◽

Vol 127 (21) ◽

pp. 214704 ◽

Cited By ~ 17

Author(s):

Changjun Zhang ◽

Ali Alavi

Keyword(s):

First Principles ◽

Hydrogen Absorption ◽

First Principles Study

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Synergetic Effects toward Catalysis and Confinement of Magnesium Hydride on Modified Graphene: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b05848 ◽

2017 ◽

Vol 121 (34) ◽

pp. 18401-18411 ◽

Cited By ~ 3

Author(s):

Jian Zhang ◽

Guanglin Xia ◽

Zaiping Guo ◽

Dianwu Zhou

Keyword(s):

First Principles ◽

Magnesium Hydride ◽

First Principles Study ◽

Synergetic Effects ◽

Modified Graphene

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Hydrogen absorption behavior of doped corannulene: A first principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2010.12.140 ◽

2011 ◽

Vol 36 (8) ◽

pp. 4976-4983 ◽

Cited By ~ 13

Author(s):

S. Banerjee ◽

C.G.S. Pillai ◽

C. Majumder

Keyword(s):

First Principles ◽

Hydrogen Absorption ◽

First Principles Study

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First-principles study on structural stability of 3d transition metal alloying magnesium hydride

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(06)60005-8 ◽

2006 ◽

Vol 16 (1) ◽

pp. 23-32 ◽

Cited By ~ 10

Author(s):

Dian-wu ZHOU ◽

Ping PENG ◽

Jin-shui LIU ◽

Lu CHEN ◽

Yan-jun HU

Keyword(s):

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Magnesium Hydride ◽

First Principles Study

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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