Strain effects on Co,N co-decorated graphyne catalysts for overall water splitting electrocatalysis

2020 ◽  
Vol 22 (4) ◽  
pp. 2457-2465 ◽  
Author(s):  
Xiaoping Gao ◽  
Yanan Zhou ◽  
Yujia Tan ◽  
Shiqiang Liu ◽  
Zhiwen Cheng ◽  
...  
Keyword(s):  
Water Splitting ◽  
Electrocatalytic Activity ◽  
Tensile Strain ◽  
Lattice Strain ◽  
Strain Effects ◽  
Overall Water Splitting ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

The electrocatalytic activity of the Co@N1-GY catalyst can be directly optimized by lattice strain and achieves ideal HER performance under tensile strain of 0.5% and the minimum OER overpotential of 0.33 V under 3% biaxial tensile strain.

Biaxial tensile strain effects on photoluminescence of different orientated Ge wafers

2011 ◽  
Vol 98 (10) ◽  
pp. 101106 ◽  
Author(s):  
H.-S. Lan ◽  
S.-T. Chan ◽  
T.-H. Cheng ◽  
C.-Y. Chen ◽  
S.-R. Jan ◽  
...  
Keyword(s):  
Tensile Strain ◽  
Strain Effects ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

SPONTANEOUS POLARIZATION AND ITS STRAIN EFFECTS FOR ORTHORHOMBIC AND MONOCLINIC Bi4Ti3O12: A FIRST PRINCIPLES STUDY

2013 ◽  
Vol 27 (25) ◽  
pp. 1350138 ◽  
Author(s):  
Q. YANG ◽  
H. LIAO ◽  
J. X. CAO ◽  
Y. MA ◽  
Y. C. ZHOU
Keyword(s):  
Spontaneous Polarization ◽  
First Principles ◽  
Density Functional ◽  
Tensile Strain ◽  
Stable Phase ◽  
Strain Effects ◽  
Polarization Component ◽  
Space Groups ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

Spontaneous polarization and its strain effects of bismuth titanate (BiT) with B2cb and B1a1 space groups are studied by first-principles density functional theory (DFT) calculation. B1a1 was proved to be the most stable phase structure and the spontaneous polarization is in good agreement with the experimental value. Similar variations of the principal polarization component (Pa) are obtained for B2cb and B1a1 structured BiT by applying b-uniaxial, c-uniaxial, ab-biaxial and bc-biaxial strains. It is found that the Pa is enhanced about 18.5% (20.8%) with ab-biaxial tensile strain of 2.4% for B2cb(B1a1) structure. Polarization along the c-axis (Pc) for the B1a1 structure is improved by 59.1% when bc-biaxial tensile strain reaches 2.4%.

scholarly journals Strain effects on oxygen migration in perovskites

2015 ◽  
Vol 17 (4) ◽  
pp. 2715-2721 ◽  
Author(s):  
Tam Mayeshiba ◽  
Dane Morgan
Keyword(s):  
Tensile Strain ◽  
Computational Results ◽  
Ion Conduction ◽  
Strain Effects ◽  
Oxygen Ion ◽  
Biaxial Tensile ◽  
Out Of Plane ◽  
Oxygen Migration ◽  
Biaxial Tensile Strain

Computational results show that a 2% biaxial tensile strain may increase oxygen ion conduction, both in- and out-of-plane, by up to approximately three orders of magnitude at 300 K in the most strain-sensitive LaBO3 perovskites, where B = [Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga].

scholarly journals Tuning Photocatalytic Performance of Multilayer ZnO for Water Splitting by Biaxial Strain Composites

Catalysts ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 1208
Author(s):  
Xiaofan Cai ◽  
Yuewu Huang ◽  
Jinzhi Hu ◽  
Shiwei Zhu ◽  
Xiaohua Tian ◽  
...  
Keyword(s):  
Water Splitting ◽  
Tensile Strain ◽  
Photocatalytic Performance ◽  
Absorption Capacity ◽  
Biaxial Strain ◽  
Direct Bandgap ◽  
Biaxial Tensile ◽  
Redox Capacity ◽  
Bandgap Semiconductors ◽  
Biaxial Tensile Strain

Novel two-dimensional (2D) materials have received extensive attention in the field of photocatalysis due to their unique properties. Traditional ZnO material with wurtzite structure transforms into a stable graphite-like structure that has the characteristics of 2D material when its thickness is less than a few atomic layers. In this work, using first-principles calculations, we investigated the potential of multilayer graphite-like ZnO as a photocatalyst for water splitting. The results showed that multilayer ZnO is a series of direct bandgap semiconductors, and their band edge positions all straddle the redox potential of water. Increasing with the number of layers, the bandgap of multilayer ZnO decreased from 3.20 eV for one layer to 2.21 eV for six layers, and visible light absorption capacity was significantly enhanced. Hence, multilayer ZnO was indeed promising for photocatalytic water splitting. Furthermore, suitable biaxial tensile strain could decrease the bandgap and maintain the stable graphite-like structure at a broader thickness range. In contrast, excessive biaxial tensile strain could change the redox capacity of multilayer ZnO and prevent it from catalyzing water splitting. Our theoretical results show that six-layer ZnO under 1% biaxial strain had direct bandgap of 2.07 eV and represents the most excellent photocatalytic performance among these multilayer ZnO materials.

Surface Physicochemical Treatment of Nickel Foam for Increasing Its Electrocatalytic Activity in Overall Water Splitting

2020 ◽  
Vol 11 (2) ◽  
pp. 458-466
Author(s):  
D. V. Fominski ◽  
V. N. Nevolin ◽  
R. I. Romanov ◽  
V. Yu. Fominski ◽  
O. V. Komleva ◽  
...  
Keyword(s):  
Water Splitting ◽  
Electrocatalytic Activity ◽  
Nickel Foam ◽  
Physicochemical Treatment ◽  
Overall Water Splitting

The effect of biaxial tensile strain on structure and photoelectric properties of Fe-doped GaN monolayer

2021 ◽  
Vol 197 ◽  
pp. 110644
Author(s):  
Juan Song ◽  
Zhao Ding ◽  
Xue-Fei Liu ◽  
Ze-Chen Huang ◽  
Jia-Wei Li ◽  
...  
Keyword(s):  
Tensile Strain ◽  
Photoelectric Properties ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

scholarly journals Tunable Dirac cones in two-dimensional covalent organic materials: C2N6S3 and its analogs

RSC Advances ◽  
2017 ◽  
Vol 7 (82) ◽  
pp. 52065-52070 ◽  
Author(s):  
Lin Wei ◽  
Xiaoming Zhang ◽  
Xiaobiao Liu ◽  
Hongcai Zhou ◽  
Bo Yang ◽  
...  
Keyword(s):  
Tensile Strain ◽  
Organic Materials ◽  
Fermi Velocity ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

C2N6S3 sustains a biaxial tensile strain up to 24% and its Fermi velocity can be tuned by biaxial strain.

scholarly journals Direct and indirect band gaps in Ge under biaxial tensile strain investigated by photoluminescence and photoreflectance studies

2018 ◽  
Vol 97 (19) ◽  
Author(s):  
D. Saladukha ◽  
M. B. Clavel ◽  
F. Murphy-Armando ◽  
G. Greene-Diniz ◽  
M. Grüning ◽  
...  
Keyword(s):  
Tensile Strain ◽  
Band Gaps ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

Biaxial strain effect on the electronic structure and valleytronic properties of a MoS2/CoO(111) heterostructure

2019 ◽  
Vol 21 (27) ◽  
pp. 15151-15156 ◽  
Author(s):  
Guang Yang ◽  
Jia Li ◽  
Ze Liu ◽  
Congcong Li ◽  
Xiujuan Mao
Keyword(s):  
Electronic Structure ◽  
Tensile Strain ◽  
Spin Splitting ◽  
Strain Effect ◽  
Biaxial Strain ◽  
Berry Curvature ◽  
Valley Splitting ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

Spin splitting, valley splitting and Berry curvature at the K and K′ valleys of a MoS2/CoO(111) heterostructure can be tuned continually by biaxial tensile strain.

Effects of biaxial tensile strain on the first-principles-driven thermal conductivity of buckled arsenene and phosphorene

2018 ◽  
Vol 20 (43) ◽  
pp. 27611-27620 ◽  
Author(s):  
Armin Taheri ◽  
Carlos Da Silva ◽  
Cristina H. Amon
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Tensile Strain ◽  
2D Materials ◽  
Two Dimensional ◽  
First Principles Study ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain ◽  
Phonon Properties

A first-principles study is conducted to investigate the effect of biaxial tensile strain on phonon properties and thermal conductivity of buckled phosphorene and arsenene, novel two-dimensional (2D) materials of group-VA.

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