Enhanced fast response to Hg0 by adsorption-induced electronic structure evolution of Ti2C nanosheet

Phase-dependent electronic and magnetic properties of Ti2C monolayers

(2020) B. Akgenc et al.   JOURNAL OF APPLIED PHYSICS

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

(2020) Tingting Wang et al.   ADVANCED FUNCTIONAL MATERIALS

Interaction studies of aniline on pristine and Al-doped ε-Arsenene nanosheets – A first-principles insight

(2020) R. Bhuvaneswari et al.   CHEMICAL PHYSICS LETTERS

Novel green phosphorene sheets to detect tear gas molecules - A DFT insight

(2020) R. Bhuvaneswari et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Sensing studies of DDT and Toxaphene molecules using chemi-resistive β-antimonene nanotubes based on first-principles insights

(2020) R. Bhuvaneswari et al.   CHEMICAL PHYSICS LETTERS

Benzyl alcohol and 2-methyldecalin vapor adsorption studies on β-bismuthene sheets – A DFT outlook

(2020) M.S. Jyothi et al.   CHEMICAL PHYSICS LETTERS

Chemisorption of Heptachlor and Mirex molecules on beta arsenene nanotubes – A first-principles analysis

(2020) R. Bhuvaneswari et al.   APPLIED SURFACE SCIENCE

Molecular adsorption studies of diethyl sulfide and ethyl methyl sulfide vapors on ζ-phosphorene nanoribbon – A first-principles insight

(2020) R. Bhuvaneswari et al.   APPLIED SURFACE SCIENCE

Hydrous RuO2 -Decorated MXene Coordinating with Silver Nanowire Inks Enabling Fully Printed Micro-Supercapacitors with Extraordinary Volumetric Performance

(2019) Hongpeng Li et al.   Advanced Energy Materials

Engineering Multifunctional Collaborative Catalytic Interface Enabling Efficient Hydrogen Evolution in All pH Range and Seawater

(2019) Xianhong Wu et al.   Advanced Energy Materials

Multifunctional Nanocomposites with High Strength and Capacitance Using 2D MXene and 1D Nanocellulose

(2019) Weiqian Tian et al.   ADVANCED MATERIALS

A hierarchically porous and hydrophilic 3D nickel–iron/MXene electrode for accelerating oxygen and hydrogen evolution at high current densities

(2019) Mengzhou Yu et al.   Nano Energy

Theoretical study of hydrocarbon functional groups on elemental mercury adsorption on carbonaceous surface

(2019) Huang Qin et al.   CHEMICAL ENGINEERING JOURNAL

Adsorption Behavior of Nucleobases on Doped MoS2 Monolayer: A DFT Study

(2019) Huiru Yang et al.   Journal of Physical Chemistry C

Metallic Ti3C2Tx MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio

(2018) Seon Joon Kim et al.   ACS Nano

Superior activity of CeO 2 modified V 2 O 5 /AC catalyst for mercury removal at low temperature

(2018) Youcai Zhu et al.   CHEMICAL ENGINEERING JOURNAL

Magnetic iron–manganese binary oxide supported on carbon nanofiber (Fe 3−x Mn x O 4 /CNF) for efficient removal of Hg 0 from coal combustion flue gas

(2018) Jianping Yang et al.   CHEMICAL ENGINEERING JOURNAL

2D titanium carbide (MXene) for wireless communication

(2018) Asia Sarycheva et al.   Science Advances

Adsorption of the NH3, NO, NO2, CO2, and CO gas molecules on blue phosphorene: A first-principles study

(2018) F. Safari et al.   APPLIED SURFACE SCIENCE

Graphene enhanced Mn-Ce binary metal oxides for catalytic oxidation and adsorption of elemental mercury from coal-fired flue gas

(2018) Yongpeng Ma et al.   CHEMICAL ENGINEERING JOURNAL

Gaseous Heterogeneous Catalytic Reactions over Mn-Based Oxides for Environmental Applications: A Critical Review

(2017) Haomiao Xu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

[MoS4]2– Cluster Bridges in Co–Fe Layered Double Hydroxides for Mercury Uptake from S–Hg Mixed Flue Gas

(2017) Haomiao Xu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

2D metal carbides and nitrides (MXenes) for energy storage

(2017) Babak Anasori et al.   Nature Reviews Materials

Recyclable Naturally Derived Magnetic Pyrrhotite for Elemental Mercury Recovery from Flue Gas

(2016) Yong Liao et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

A Modeling Comparison of Mercury Deposition from Current Anthropogenic Mercury Emission Inventories

(2016) Francesco De Simone et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

First-principles design of spintronics materials

(2016) Xingxing Li et al.   National Science Review

Monolayer Ti2CO2: A Promising Candidate for NH3 Sensor or Capturer with High Sensitivity and Selectivity

(2015) Xue-fang Yu et al.   ACS Applied Materials & Interfaces

Regenerable Ag/graphene sorbent for elemental mercury capture at ambient temperature

(2015) Haomiao Xu et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Potential Hazards of Brominated Carbon Sorbents for Mercury Emission Control

(2015) Teresa M. Bisson et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field

(2015) Hongyan Guo et al.   Journal of Physical Chemistry C

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

(2014) Liangzhi Kou et al.   Journal of Physical Chemistry Letters

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2

(2014) Wei Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A review of atmospheric mercury emissions, pollution and control in China

(2014) Shuxiao Wang et al.   Frontiers of Environmental Science & Engineering

A Critical Review on the Heterogeneous Catalytic Oxidation of Elemental Mercury in Flue Gases

(2013) Yanshan Gao et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Heterogeneous Mercury Oxidation on Au(111) from First Principles

(2013) Dong-Hee Lim et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CeO2–TiO2 Sorbents for the Removal of Elemental Mercury from Syngas

(2013) Jinsong Zhou et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Hybrid density functional study of structural and electronic properties of functionalized Tin+1Xn(X=C, N) monolayers

(2013) Yu Xie et al.   PHYSICAL REVIEW B

Staggered Dynamics in Antiferromagnets by Collective Coordinates

(2013) Erlend G. Tveten et al.   PHYSICAL REVIEW LETTERS

Investigation of Adsorption Behavior of Mercury on Au(111) from First Principles

(2012) Dong-Hee Lim et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer

(2012) Qing Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nanosized Cation-Deficient Fe−Ti Spinel: A Novel Magnetic Sorbent for Elemental Mercury Capture from Flue Gas

(2011) Shijian Yang et al.   ACS Applied Materials & Interfaces

Gaseous Elemental Mercury Capture from Flue Gas Using Magnetic Nanosized (Fe3-xMnx)1-δO4

(2011) Shijian Yang et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Accurate and efficient algorithm for Bader charge integration

(2011) Min Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Phenomenology of Current-Induced Dynamics in Antiferromagnets

(2011) Kjetil M. D. Hals et al.   PHYSICAL REVIEW LETTERS

Gas-phase elemental mercury capture by a V2O5/AC catalyst

(2010) Junwei Wang et al.   FUEL PROCESSING TECHNOLOGY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS