GeH: a novel material as a visible-light driven photocatalyst for hydrogen evolution

Liu, Zhenhua; Lou, Zaizhu; Li, Zhujie; Wang, Gang; Wang, Zeyan; Liu, Yuanyuan; Huang, Baibiao; Xia, Sheng‐Qing; Qin, Xiaoyan; Zhang, Xiaoyang; Dai, Ying

doi:10.1039/c4cc03636k

Cited by 67 publications

(78 citation statements)

References 19 publications

(12 reference statements)

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“…The generalized gradient approximation for the exchange-correlation functional of the Perdew-Burke-Ernzerhof (PBE) 23 form has been employed to obtain the structural optimization and the total energy of the systems. 28,29 The calculations have been performed using the VASP-code, 30,31 which performs fully self-consistent calculations by solving the standard Kohn-Shan (KS) equations using both GGA-PBE and HSE06 type exchange-correlation functional. In order to avoid this problem by including the screened Coulomb potential, we have employed the hybrid functional formalism named HSE06 [24][25][26][27] to explore the electronic band structure of pristine and doped systems.…”

Section: Methodsmentioning

confidence: 99%

The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study

Rupp

Chakraborty

Ahuja

et al. 2015

Phys. Chem. Chem. Phys.

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Spin polarized density functional theory within the GGA-PBE and HSE06 approach for the exchange correlation term has been used to investigate the stability and electronic properties of nitrogen and boron impurities in single layers of silicane and germanane. We have observed that these impurities have lower formation energies in silicane and germanane when compared to their counterparts in graphane. We have also noticed that the adsorption of H atoms in the vicinity of defects stabilizes the system. In addition, we have shown that the electronic properties of silicane and germanane can be tuned when N and B are incorporated in the Si and Ge network. N-doping and B-doping give rise to n-type and p-type semiconductor properties. However, the adsorption of H atoms quenches the doping effects.

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Section: Methodsmentioning

confidence: 99%

The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study

Rupp

Chakraborty

Ahuja

et al. 2015

Phys. Chem. Chem. Phys.

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“…[1][2][3][4][5][6][7] Recently, BiOX (X=Cl/Br/I) have attracted considerable interests as a new kind of 2D layered material with high visible-light photocatalytic activities due to its unique layered structure arranged in a…”

Section: Introductionmentioning

confidence: 99%

Indirect-Direct Band Transformation of Few-Layer BiOCl under Biaxial Strain

Hao

Zhang

et al. 2016

J. Phys. Chem. C

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Being a new two-dimensional layered compounds, the tunable indirect-direct band transformation of BiOCl with different layers can be realized by introducing the biaxial tensile or compressive strains. The band structure and stability of BiOCl with different layers are first researched to clarify the influence of layer numbers. A phase transformation of bilayer BiOCl and metallic characteristic for all are observed under large tensile and compressive strains, respectively. In addition, bond length, interlayer spacing, and band decomposed charge density are calculated to analyze the mechanism behind these phenomena. The results indicate that the band structure transformation is primarily related to the competitions between two kinds of intralayer and interlayer Bi-O bonds and hybridizations between atoms under strains.

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“…GeH was then obtained through a chemical ion‐exchange method between GaGe 2 and HCl, as illustrated in Figure a. The single‐crystal CaGe 2 was immersed in concentrated hydrochloric acid at −40 °C, the reacted product was then washed and separated, and finally, the GeH sample was obtained, which was 2–3 mm in diameter and less than 100 µm in thickness . It was demonstrated that the interlayer space increased from 5.1 Å in CaGe 2 to 5.5 Å in GeH, which is similar to the observed height of single‐layer GeH, as determined by atomic force microscopy (AFM) (Figure e).…”

Section: Functionalized Germanenementioning

confidence: 53%

“…One can understand how the electronic properties of GeH change by synthesizing different germanene‐based crystals with small ligands. Incorporating different elements, including Eu, As, Ga, and Sn, into the precursor CaGe 2 is one way of tailoring the electronic structure of GeH . Another method to tune the properties of GeH is exchanging the terminated ligands on the surface.…”

Section: Functionalized Germanenementioning

confidence: 99%

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Recent Progress on Germanene and Functionalized Germanene: Preparation, Characterizations, Applications, and Challenges

Liu

et al. 2019

Small

117

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A new family of single‐atom‐thick 2D germanium‐based materials with graphene‐like atomic arrangement, germanene and functionalized germanene, has attracted intensive attention due to their large bandgap and easily tailored electronic properties. Unlike carbon atoms in graphene, germanium atoms tend to adopt mixed sp2/sp3 hybridization in germanene, which makes it chemically active on the surface and allows its electronic states to be easily tuned by chemical functionalization. Impressive achievements in terms of the applications in energy storage and catalysis have been reported by using germanene and functionalized germanene. Herein, the fabrication of epitaxial germanene on different metallic substrates and its unique electronic properties are summarized. Then, the preparation strategies and the fundamental properties of hydrogen‐functionalized germanene (germanane or GeH) and other ligand‐terminated forms of germanene are presented. Finally, the progress of their applications in energy storage and catalysis, including both experimental results and theoretical predictions, is analyzed.

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GeH: a novel material as a visible-light driven photocatalyst for hydrogen evolution

Abstract: A novel 2D material germanane (GeH), which was synthesized by an ion-exchange approach, was firstly found to exhibit photocatalytic performance in the hydrogen evolution of water splitting and decomposition of organic contaminants under illumination of visible light (λ ≥ 420 nm).

Cited by 67 publications

References 19 publications

The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study

The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study

Indirect-Direct Band Transformation of Few-Layer BiOCl under Biaxial Strain

Recent Progress on Germanene and Functionalized Germanene: Preparation, Characterizations, Applications, and Challenges

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