Homoatomic flatlands beyond graphene: A new avenue for gas sensors
Since the discovery of graphene, research on finding such materials has extended quite fast
in the last two decades. The layered architecture and very thin vertical height make it a two …
in the last two decades. The layered architecture and very thin vertical height make it a two …
Density function theory investigation of bimetallic phthalocyanine as a potential sensor and scavenger for nitrogen-containing toxic gases
Y Ma, G Deng, H **ong - Journal of Environmental Chemical Engineering, 2024 - Elsevier
Urbanization and industrialization processes inevitably release a large amount of nitrogen-
containing toxic gases (NTGs) such as NO, NO 2, NH 3 and HCN, posing a serious threat to …
containing toxic gases (NTGs) such as NO, NO 2, NH 3 and HCN, posing a serious threat to …
Atomic regulation to improve the sensing-performance of CoPc and NiPc monolayer toward chloromethane molecule: Insights from DFT calculations
Z Nie, R Xue, X He, G **e, H **ong - Surfaces and Interfaces, 2023 - Elsevier
The development of a high-performance gas sensor for efficient detection of harmful
chloromethane (CH 3 Cl) is of great importance to environmental monitoring and human …
chloromethane (CH 3 Cl) is of great importance to environmental monitoring and human …
Theoretical investigation of Ag and Au modified CSiN monolayer as a potential gas sensor for air decomposition components detection
M Yang, H **ong, Y Ma, L Yang - Journal of Molecular Liquids, 2024 - Elsevier
Monitoring and detection of air decomposition components (ADCs) is an effective approach
for diagnosing the faults in air switchgear devices. Herein, the adsorption behavior of three …
for diagnosing the faults in air switchgear devices. Herein, the adsorption behavior of three …
Toxic gas sensing performance of arsenene functionalized by single atoms (Ag, Au): a DFT study
P Wu, Z Zhao, Z Huang, M Huang - RSC advances, 2024 - pubs.rsc.org
The detection and removal of toxic gases from the air are imminent tasks owing to their
hazards to the environment and human health. Based on DFT calculations with VdW …
hazards to the environment and human health. Based on DFT calculations with VdW …
Adsorption and sensing performances of vacancy defects and Cu-embedded GaN/MoTe2 heterostructure for harmful gases: A DFT study
Y Bo, Q Zhang, Y Zhang, X Yang, B Wang… - … and Theoretical Chemistry, 2024 - Elsevier
By utilizing density functional theory (DFT), we explore the adsorption and sensing
performance of NO, NO 2, SO 2 and CO on intrinsic GaN/MoTe 2 heterostructure, vacancy …
performance of NO, NO 2, SO 2 and CO on intrinsic GaN/MoTe 2 heterostructure, vacancy …
Empowering spintronics performance of 3d transition metal adsorbed B4C3 monolayer: A DFT outlook
We investigated the structural, electronic, adsorption, and magnetic properties of 3d
transition metals (TMs), including Ti, V, Cr, Mn, Fe, Co, Ni, and Cu, adsorbed on B 4 C 3 …
transition metals (TMs), including Ti, V, Cr, Mn, Fe, Co, Ni, and Cu, adsorbed on B 4 C 3 …
Exploring the sensing potential of Fe-decorated h-BN toward harmful gases: a DFT study
Gas sensing technology has a broad impact on society, ranging from environmental and
industrial safety to healthcare and everyday applications, contributing to a safer, healthier …
industrial safety to healthcare and everyday applications, contributing to a safer, healthier …
Adsorption of 4D and 5D transition metals on antimonene for optoelectronics and spintronics applications
For spintronic devices, the adsorption of transition metal (TM) atoms may provide two-
dimensional (2D) materials with enhanced electrical and magnetic characteristics. Herein …
dimensional (2D) materials with enhanced electrical and magnetic characteristics. Herein …
Proposals for gas-detection improvement of the FeMPc monolayer towards ethylene and formaldehyde by using bimetallic synergy
Y Ma, H **ong, J Zhang - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Development and fabrication of a novel gas sensor with superb performance are crucial for
enabling real-time monitoring of ethylene (C2H4) and formaldehyde (H2CO) emissions from …
enabling real-time monitoring of ethylene (C2H4) and formaldehyde (H2CO) emissions from …