General principles to high-throughput constructing two-dimensional carbon allotropes
We propose general principles to construct two-dimensional (2D) single-atom-thick carbon
allotropes. They can be viewed as the generalization of patterning Stone–Walse defects …
allotropes. They can be viewed as the generalization of patterning Stone–Walse defects …
Structural, elastic, and electronic properties of topological semimetal WC-type MX family by first-principles calculation
Recently, the non-centrosymmetric WC-type materials (ie, MoP, ZrTe, TaN, etc) have
attracted extensive interest due to the discovery of their topological properties. By means of …
attracted extensive interest due to the discovery of their topological properties. By means of …
Kinetic pathways towards mass production of single crystalline stanene on topological insulator substrates
As a highly appealing new member of the two-dimensional (2D) materials family, stanene
was first epitaxially grown on a three-dimensional topological insulator of Bi2Te3; yet, to …
was first epitaxially grown on a three-dimensional topological insulator of Bi2Te3; yet, to …
A Comprehensive Analysis of Topological Features in Electronic Structure of GdAgMg
The present work reports the study of electronic properties of the ternary equiatomic
compound GdAgMg using first-principles calculations. The electronic structure properties …
compound GdAgMg using first-principles calculations. The electronic structure properties …
High active crystalline {1 1 0} facets with high surface energy in Tin monoxide photocatalyst
Z Guo, X Han, Z Zhang, X Zhang, M Liang, D Wu… - Inorganic Chemistry …, 2021 - Elsevier
The activity of SnO photocatalyst with different exposed facets has been investigated based
on the micrometer-sized SnO single-crystals with two different shapes. Truncated bipyramid …
on the micrometer-sized SnO single-crystals with two different shapes. Truncated bipyramid …
Metal‐free Catalyst B2S Sheet for Effective CO2 Electrochemical Reduction to CH3OH
M Tang, H Shen, H Xie, Q Sun - ChemPhysChem, 2020 - Wiley Online Library
Considering the problems of high costs, low catalytic activity and selectivity in the metal‐
based catalysts for CO2 electroreduction, we apply boron‐containing metal‐free B2S sheet …
based catalysts for CO2 electroreduction, we apply boron‐containing metal‐free B2S sheet …
非中心对称拓扑狄拉克半金属的研究进展
高恒， 胡顺波， 任伟 - 上海大学学报(自然科学版), 2022 - journal.shu.edu.cn
Dirac semimetals have received extensive attention both experimentally and theoretically
because of their novel electronic structures and transport properties. Topological Dirac …
because of their novel electronic structures and transport properties. Topological Dirac …
Multiple-symmetry-protected lantern-like nodal walls in lithium-rich compound LiRuO2
H Gao, W Meng, L Wang, J Deng - Frontiers in Physics, 2022 - frontiersin.org
Topological semimetals have attracted wide attention due to their potential applications,
such as electronic devices and electrocatalysis. Herein, based on the first-principles …
such as electronic devices and electrocatalysis. Herein, based on the first-principles …
Palladium oxide: an excellent topological electronic material with 0-D and 1-D band crossings and definite nontrivial surface states
Because of their promising applications in electronics, topological materials have been
much investigated recently. Here, we propose that palladium oxide (PdO) is an excellent …
much investigated recently. Here, we propose that palladium oxide (PdO) is an excellent …
Optical Properties of Topological Semimetal Mx Compounds (M= Ti, Zr, Hf and X= S, Se, Te) by First-Principles Calculation
By first-principles calculation of the DFT approach, the optical properties of MX compounds
(M= Ti, Zr, Hf and X= S, Se, Te) in light of the reported novel electronic properties are …
(M= Ti, Zr, Hf and X= S, Se, Te) in light of the reported novel electronic properties are …