Article
Chemistry, Physical
Mohsen Doust Mohammadi, Faheem Abbas, Hitler Louis, Gideon E. Mathias, Tomsmith O. Unimuke
Summary: This study investigates the efficacy of polyoxometalate compound as an adsorbent for pollutant gases and determines the stable geometry and adsorption energy of specific complexes. The results suggest that polyoxometalate molecule is more efficient in detecting NO and NH3 due to higher adsorption energy.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Mohsen Doust Mohammadi, Hitler Louis, Udochukwu G. Chukwu, Somnath Bhowmick, Michael E. Rasaki, George Biskos
Summary: In this study, the interaction between atmospheric pollutants (CO, CO2, H2S, NH3, NO, NO2, and SO2) and Zn-24 and Zn12O12 atomic clusters was investigated using density functional theory. The results showed a strong molecular-cluster interaction, with both types of clusters exhibiting negative adsorption energy. The Zn-24 cluster showed higher effectiveness in adsorbing SO2, NO2, and NO, while the Zn12O12 cluster was more preferable for CO, CO2, H2S, and NH3. Additionally, both clusters exhibited stable adsorption and strong intermolecular interactions as determined by FMO, NBO, NCI, and QTAIM analyses. These findings suggest that Zn-24 and Zn12O12 clusters can be used for enhancing the interaction with CO, H2S, NO, or NO2 in various materials or systems.
Article
Chemistry, Physical
Guoying Wang, Shangrong Ma, Xiuli Niu, Xuefu Chen, Fengshuo Liu, Xin Li, Lan Li, Gaofeng Shi, Zhijun Wu
Summary: Research on the sources of HONO in the troposphere remains incomplete, with models failing to accurately predict high levels of fine-particle pollution. Studies demonstrate that at high concentrations, a ratio of 2:1:3:3 of NO2, SO2, H2O, and NH3 can facilitate barrierless reactions for the formation of HONO and NO2-HSO3.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Multidisciplinary Sciences
S. Kavosi, J. Raeder, J. R. Johnson, K. Nykyri, C. J. Farrugia
Summary: This study uses data from NASA THEMIS and MMS missions to reveal that Kelvin-Helmholtz Instability (KHI) is ubiquitous at Earth's magnetopause and plays a crucial role in plasma entry into the magnetosphere during northward interplanetary magnetic fields. The occurrence rates of KHI show seasonal and diurnal variations, with higher rates near the equinoxes and lower rates near the solstices. The instability is directly dependent on the Earth's dipole tilt angle, with tilt towards or away from the Sun explaining most of the seasonal and diurnal variations.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Rafael Ferreira de Menezes, Fernando Pirani, Cecilia Coletti, Luiz Guilherme Machado de Macedo, Ricardo Gargano
Summary: Graphene Quantum Dots (GQDs) show promise as sensitive and accurate gas sensors for monitoring pollutant gases. Doping GQDs with boron, nitrogen or aluminum greatly improves their adsorption capabilities, particularly for NO2 gas sensors.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Analytical
Unab Javed, Kannan P. Ramaiyan, Cortney R. Kreller, Eric L. Brosha, Rangachary Mukundan, Anirvan M. Sengupta, Alexandre V. Morozov
Summary: This study employs machine learning to decode the composition of unknown gas mixtures using an array of four electrochemical sensors. The sensors produce voltage responses to gases in complex mixtures and a machine learning pipeline classifies the mixtures and predicts gas concentrations. The framework can be expanded for various applications.
SENSORS AND ACTUATORS B-CHEMICAL
(2022)
Article
Chemistry, Multidisciplinary
Long Lin, Xinchun Li, Chaowen Xue, Xiaolin Cai, Hualong Tao, Zhanying Zhang
Summary: In this study, DFT calculations were used to analyze the adsorption of industrial waste gases on WSe2 monolayers. The results showed that Os-doped and Os-modified WSe2 exhibited improved gas molecule adsorption ability, especially for NO2, SO2, H2S, and NH3. Furthermore, Os-embedded WSe2 was found to function as a gas sensor for H2S and NH3 molecules at high temperatures.
Article
Chemistry, Physical
Jonas Anversa, Rogerio J. Baierle, Caroline J. Rupp
Summary: This study investigates the energetic and electronic properties of X12 borophene nanosheet with adsorbed platinum (Pt) using first principles study within the density functional theory. The study also explores the potential use of Pt-decorated borophene as a catalytic material and molecular sensor. Results show that Pt adsorbed at the center of a hexagon on the X12 borophene nanosheet is the most stable configuration with a binding energy of -4.473 eV. Pt adsorption does not alter the metallic properties of X12 borophene but introduces new electronic levels that resonate with the conduction band.
Article
Chemistry, Physical
Soumitra Das, K. G. Girija, A. K. Debnath, R. K. Vatsa
Summary: Undoped and Ni doped SnO2 nanoparticles were synthesized by low temperature polyol route and showed improved sensor response towards SO2 and NO2. Ni doping enhances the formation of oxygen vacancies and surface hydroxyl groups, leading to excellent sensor performance and selectivity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Plant Sciences
Yuxuan Miao, Yao Cai, Hao Wu, Dan Wang
Summary: The study found that elevated CO2 significantly increased the net photosynthetic rate of rice, especially during the jointing stage. This stimulation was acclimated with the advance of the growing season and was not affected by stomatal limitations or Rubisco activity.
FRONTIERS IN PLANT SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Zixiao Li, Qiang Zhou, Jie Liang, Longcheng Zhang, Xiaoya Fan, Donglin Zhao, Zhengwei Cai, Jun Li, Dongdong Zheng, Xun He, Yongsong Luo, Yan Wang, Binwu Ying, Hong Yan, Shengjun Sun, Jing Zhang, Abdulmohsen Ali Alshehri, Feng Gong, Yinyuan Zheng, Xuping Sun
Summary: This study reports the efficient catalysis of NO reduction to NH3 by oxygen-defective TiO2 nanoarray supported on Ti plate (TiO2-x/TP). In 0.2 m phosphate-buffered electrolyte, TiO2-x/TP shows competitive electrocatalytic activity for NH3 synthesis with high yield and Faradaic efficiency. The use of TiO2-x/TP in a Zn-NO battery also demonstrates high NH3 yield and peak power density.
Article
Materials Science, Multidisciplinary
Yiting Lin, Jie Liang, Haobo Li, Longcheng Zhang, Ting Mou, Tingshuai Li, Luchao Yue, Yuyao Ji, Qian Liu, Yonglan Luo, Na Li, Bo Tang, Qi Wu, Mohamed S. Hamdy, Dongwei Ma, Xuping Sun
Summary: This study reports a highly efficient electrocatalyst for the selective reduction of NO to NH3. The catalyst exhibits high NH3 yield and Faradaic efficiency in neutral media, making it a promising catalyst for aqueous-based NO-to-NH3 conversion.
MATERIALS TODAY PHYSICS
(2022)
Article
Environmental Sciences
Jing Wei, Zhanqing Li, Jun Wang, Can Li, Pawan Gupta, Maureen Cribb
Summary: This study utilizes big data and artificial-intelligence technologies to generate daily maps of three major pollutant gases (NO2, SO2, and CO) across China from 2013 to 2020. The data quality is high, with coefficients of determination ranging from 0.80 to 0.84. The study also finds sustained impacts of the COVID-19 lockdown on gaseous pollutants, with different recovery rates for different gases and a gradual decline in pollutant concentrations over time.
ATMOSPHERIC CHEMISTRY AND PHYSICS
(2023)
Article
Plant Sciences
Qingfeng Song, Jeroen Van Rie, Bart Den Boer, Alexander Galle, Honglong Zhao, Tiangen Chang, Zhonghu He, Xin-Guang Zhu
Summary: Improving canopy photosynthetic light use efficiency and energy conversion efficiency is crucial for increasing crop yield potential. However, the diurnal and seasonal variations of canopy light use efficiency and energy conversion efficiency have been largely unknown. This study quantified the dynamic changes in these parameters and found significant variations throughout the day and growing season. The results highlight the opportunity to improve canopy photosynthesis for greater wheat biomass and yield potential.
FRONTIERS IN PLANT SCIENCE
(2022)
Article
Chemistry, Physical
Ling Ouyang, Qiang Zhou, Jie Liang, Longcheng Zhang, Luchao Yue, Zerong Li, Jun Li, Yongsong Luo, Qian Liu, Na Li, Bo Tang, Abdulmohsen Ali Alshehri, Feng Gong, Xuping Sun
Summary: In this study, a metal-free catalyst consisting of honeycomb carbon nanofiber coated on carbon paper was developed for efficient electroreduction of NO to NH3 in ambient conditions. The catalyst exhibited high NH3 yield and Faradaic efficiency, as well as excellent stability. Theoretical calculations suggested that the -OH group served as the most active site for NO reduction, with a low energy barrier for the potential-determining step.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)