Remarkable hydrogen storage on Sc2B42+ cluster: A computational study

[1]  D. Music,et al.  Adsorption of film-forming species on NbO and NbO2 surfaces , 2017 .

[2]  S. Noorizadeh,et al.  Adsorption of H2 on Ga24N24 cluster; A density functional theory investigation , 2017 .

[3]  Xiaowei Song,et al.  Excess charge driven dissociative hydrogen adsorption on Ti2O4. , 2017, Physical chemistry chemical physics : PCCP.

[4]  Bo Wu,et al.  Structural, electronic and spectral properties referring to hydrogen storage capacity in binary alloy ScBn (n = 1–12) clusters , 2017 .

[5]  T. Ghanty,et al.  Atom- and Ion-Centered Icosahedral Shaped Subnanometer-Sized Clusters of Molecular Hydrogen , 2017 .

[6]  Jianfeng Jia,et al.  Oligomerization of Vanadium-acetylene systems and its effect on hydrogen storage , 2017 .

[7]  Banchob Wanno,et al.  Hydrogen adsorption on graphene sheets doped with group 8B transition metal: A DFT investigation , 2017 .

[8]  Gaohong Zhai,et al.  All-metal binuclear sandwich complexes Al4Ti2Al4: High capacity hydrogen storage through multicenter bonds , 2017 .

[9]  R. Moradi,et al.  DFT investigation of hydrogen adsorption on the C3N nanotube , 2016 .

[10]  A. Rad,et al.  Coordination of nickel atoms with Al12X12 (X = N, P) nanocages enhances H2 adsorption: A surface study by DFT , 2016 .

[11]  E. Titus,et al.  Hydrogen adsorption on Ce-ethylene complex using quantum chemical methods , 2016 .

[12]  Xiyuan Sun,et al.  The hydrogen storage on heptacoordinate carbon motif CTi72 , 2016 .

[13]  A. Chaudhari,et al.  Improved H2 uptake capacity of transition metal doped benzene by boron substitution , 2016 .

[14]  A. Chaudhari,et al.  Closoborate-transition metal complexes for hydrogen storage , 2015 .

[15]  Gaohong Zhai,et al.  Two dimetallocenes with vanadium and chromium: Electronic structures and their promising application in hydrogen storage , 2015 .

[16]  Yu Jia,et al.  The hydrogen storage behavior of Li-decorated monolayer WS2: A first-principles study , 2015 .

[17]  S. Krukowski,et al.  Adsorption of Hydrogen at the GaN(0001̅) Surface: An Ab Initio Study , 2015 .

[18]  Jianfeng Jia,et al.  Computational investigation of hydrogen storage on scandium–acetylene system , 2015 .

[19]  Z. Wen,et al.  First-principles predictions of potential hydrogen storage materials: Novel sandwich-type ethylene dimetallocene complexes , 2014 .

[20]  M. Khan,et al.  Transition metal decorated borazine complex for hydrogen storage and unfavourable consequence of spin shift for hydrogen storage on Ti-decorated borazine: A DFT study , 2014 .

[21]  Jianfeng Jia,et al.  Ti–η2-(C2H2) and HCC–TiH as high capacity hydrogen storage media , 2013 .

[22]  Y. Hu.  Novel hydrogen storage systems and materials , 2013 .

[23]  Swastika Banerjee,et al.  Density functional theoretical investigation on structure, optical response and hydrogen adsorption properties of B9/metal-B9 clusters. , 2013, Physical chemistry chemical physics : PCCP.

[24]  M. Dixit,et al.  Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage : A solution for the clustering problem in MOFs , 2012 .

[25]  A. Chaudhari,et al.  Interaction of molecular hydrogen with Ni doped ethylene and acetylene complex , 2012 .

[26]  A. Chaudhari,et al.  C2H2M (M = Ti, Li) complex: A possible hydrogen storage material , 2012 .

[27]  Zhenyu Zhang,et al.  Edge-decorated graphene nanoribbons by scandium as hydrogen storage media. , 2012, Nanoscale.

[28]  Shih‐Yuan Liu,et al.  A single-component liquid-phase hydrogen storage material. , 2011, Journal of the American Chemical Society.

[29]  Xiang Lin,et al.  Highly porous and robust scandium-based metal-organic frameworks for hydrogen storage. , 2011, Chemical communications.

[30]  P. Jena.  Materials for Hydrogen Storage: Past, Present, and Future , 2011 .

[31]  P. Chattaraj,et al.  Analyzing the efficiency of Mn–(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials , 2010, 1009.0379.

[32]  Jijun Zhao,et al.  Hydrogen storage behavior of one-dimensional TiBx chains , 2010, Nanotechnology.

[33]  Katsuhiko Hirose,et al.  Handbook of hydrogen storage : new materials for future energy storage , 2010 .

[34]  H. Mizuseki,et al.  Titanium-doped nickel clusters TiNi(n) (n = 1-12): geometry, electronic, magnetic, and hydrogen adsorption properties. , 2010, The journal of physical chemistry. A.

[35]  A. Chaudhari,et al.  Hydrogen Storage in C2H4V and C2H4V+ Organometallic Compounds , 2010 .

[36]  Z. B. Güvenç,et al.  Density Functional Study of Physical and Chemical Properties of Nano Size Boron Clusters: Bn (n = 1320) , 2009 .

[37]  A. Phillips,et al.  High capacity hydrogen absorption in transition-metal ethylene complexes: consequences of nanoclustering , 2009, Nanotechnology.

[38]  T. Hoang,et al.  Exploiting the Kubas Interaction in the Design of Hydrogen Storage Materials , 2009 .

[39]  S. Ciraci,et al.  Transition-metal-ethylene complexes as high-capacity hydrogen-storage media. , 2006, Physical review letters.

[40]  A. Züttel,et al.  Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: First-principles calculations and experiments , 2006 .

[41]  R. T. Yang,et al.  Hydrogen storage in metal-organic frameworks by bridged hydrogen spillover. , 2006, Journal of the American Chemical Society.

[42]  Ferdi Schüth,et al.  Advanced Hydrogen‐Storage Materials Based on Sc‐, Ce‐, and Pr‐Doped NaAlH4 , 2006 .

[43]  Takayuki Ichikawa,et al.  Catalytic effect of nanoparticle 3d-transition metals on hydrogen storage properties in magnesium hydride MgH2 prepared by mechanical milling. , 2005, The journal of physical chemistry. B.

[44]  J. Long,et al.  Hydrogen storage in the dehydrated prussian blue analogues M3[Co(CN)6]2 (M = Mn, Fe, Co, Ni, Cu, Zn). , 2005, Journal of the American Chemical Society.

[45]  I. Boustani,et al.  Systematic ab initio investigation of bare boron clusters:mDetermination of the geometryand electronic structures of B n (n=2–14) , 1997 .

[46]  A. Becke.  Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[47]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[48]  A. Chaudhari,et al.  Impact of position and number of boron atom substitution on hydrogen uptake capacity of Li-decorated pentalene. , 2016, Physical chemistry chemical physics : PCCP.

[49]  Damon Honnery,et al.  Hydrogen's role in an uncertain energy future , 2009 .

[50]  Z. B. Güvenç,et al.  Structure and Energetic of B n (n 2-12) Clusters: Electronic Structure Calculations , 2007 .