Journal ArticleDOI
Formation and Characterization of Hydrogen Boride Sheets Derived from MgB2 by Cation Exchange.
Hiroaki Nishino,Takeshi Fujita,Nguyen Thanh Cuong,Satoshi Tominaka,Masahiro Miyauchi,Soshi Iimura,Akihiko Hirata,Naoto Umezawa,Susumu Okada,Eiji Nishibori,Eiji Nishibori,Asahi Fujino,Tomohiro Fujimori,Shin Ichi Ito,Junji Nakamura,Junji Nakamura,Hideo Hosono,Hideo Hosono,Takahiro Kondo,Takahiro Kondo +19 more
Reads0
Chats0
TLDR
The experimental realization of 2D hydrogen boride sheets with an empirical formula of H1B1 is reported, produced by exfoliation and complete ion-exchange between protons and magnesium cations in magnesium diboride (MgB2) with an average yield of 42.3% at room temperature.Abstract:
Two-dimensional (2D) materials are promising for applications in a wide range of fields because of their unique properties. Hydrogen boride sheets, a new 2D material recently predicted from theory, exhibit intriguing electronic and mechanical properties as well as hydrogen storage capacity. Here, we report the experimental realization of 2D hydrogen boride sheets with an empirical formula of H1B1, produced by exfoliation and complete ion-exchange between protons and magnesium cations in magnesium diboride (MgB2) with an average yield of 42.3% at room temperature. The sheets feature an sp2-bonded boron planar structure without any long-range order. A hexagonal boron network with bridge hydrogens is suggested as the possible local structure, where the absence of long-range order was ascribed to the presence of three different anisotropic domains originating from the 2-fold symmetry of the hydrogen positions against the 6-fold symmetry of the boron networks, based on X-ray diffraction, X-ray atomic pair dist...read more
Citations
More filters
Journal ArticleDOI
2D Nanomaterials for Photocatalytic Hydrogen Production
Priyanka Ganguly,Moussab Harb,Zhen Cao,Luigi Cavallo,Ailish Breen,Saoirse Dervin,Dionysios D. Dionysiou,Suresh C. Pillai +7 more
TL;DR: The photocatalytic water splitting technique is a promising alternative to produce hydrogen using a facile and proficient method as discussed by the authors, and it has been shown to be an effective alternative to conventional water splitting.
Journal ArticleDOI
Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB
Junjie Wang,Junjie Wang,Tian-Nan Ye,Yutong Gong,Jiazhen Wu,Nanxi Miao,Tomofumi Tada,Hideo Hosono +7 more
TL;DR: It is theoretically demonstrate that the TiB single layer exhibits superior potential as an anode material for Li/Na ion batteries than conventional carbide MXenes such as Ti3C2.
Journal ArticleDOI
2D Boron Sheets: Structure, Growth, and Electronic and Thermal Transport Properties
Journal ArticleDOI
Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties.
Bohayra Mortazavi,Meysam Makaremi,Masoud Shahrokhi,Mostafa Raeisi,Chandra Veer Singh,Timon Rabczuk,Luiz Felipe C. Pereira +6 more
TL;DR: This study confirms that borophene hydride shows an outstanding combination of interesting mechanical, electronic, optical and thermal conduction properties, which are promising for the design of novel nanodevices.
Journal ArticleDOI
Synthesis of borophane polymorphs through hydrogenation of borophene.
Qiucheng Li,Venkata Surya Chaitanya Kolluru,Venkata Surya Chaitanya Kolluru,Matthew S. Rahn,Eric Schwenker,Eric Schwenker,Shaowei Li,Richard G. Hennig,Pierre Darancet,Maria K. Y. Chan,Mark C. Hersam +10 more
TL;DR: In this paper, the most prevalent borophane polymorph is shown to possess a combination of two-center two-electron boron-hydrogen and three-center-twoelectron BORON-HOG-boron bonds.
References
More filters
Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Related Papers (5)
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
Andrew J. Mannix,Andrew J. Mannix,Xiang-Feng Zhou,Xiang-Feng Zhou,Brian Kiraly,Brian Kiraly,Joshua D. Wood,Diego Alducin,Benjamin D. Myers,Xiaolong Liu,Brandon Fisher,Ulises Santiago,Jeffrey R. Guest,Miguel Jose Yacaman,Arturo Ponce,Artem R. Oganov,Artem R. Oganov,Artem R. Oganov,Mark C. Hersam,Nathan P. Guisinger +19 more