N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach

Ultra‐High Surface Area Nitrogen‐Doped Carbon Aerogels Derived From a Schiff‐Base Porous Organic Polymer Aerogel for CO 2 Storage and Supercapacitors

(2019) Huimin Li et al.   ADVANCED FUNCTIONAL MATERIALS

Effect of oxygen doping on the stability and band structure of borophene nanoribbons

(2019) Andrey A. Kistanov et al.   CHEMICAL PHYSICS LETTERS

AIRBED: A Simplified Density Functional Theory Model for Physisorption on Surfaces

(2019) Stephen E. Mason et al.   Journal of Chemical Theory and Computation

Hydrophobic and Electronic Properties of the E-MoS2 Nanosheets Induced by FAS for the CO2 Electroreduction to Syngas with a Wide Range of CO/H2 Ratios

(2018) Kuilin Lv et al.   ADVANCED FUNCTIONAL MATERIALS

An assessment of CCS costs, barriers and potential

(2018) Sara Budinis et al.   Energy Strategy Reviews

Metal-Organic Frameworks/Graphene-Based Materials: Preparations and Applications

(2018) Yan Zheng et al.   ADVANCED FUNCTIONAL MATERIALS

Layered Platinum Dichalcogenides (PtS2, PtSe2, and PtTe2) Electrocatalysis: Monotonic Dependence on the Chalcogen Size

(2016) Xinyi Chia et al.   ADVANCED FUNCTIONAL MATERIALS

Recent Advances in Doping of Molybdenum Disulfide: Industrial Applications and Future Prospects

(2016) Viet Phuong Pham et al.   ADVANCED MATERIALS

Surface study of gallium- and aluminum- doped graphenes upon adsorption of cytosine: DFT calculations

(2016) Ali Shokuhi Rad et al.   APPLIED SURFACE SCIENCE

Formaldehyde molecule adsorption on the doped monolayer MoS 2 : A first-principles study

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Chemisorption of NO on Pt-decorated graphene as modified nanostructure media: A first principles study

(2016) Ali Shokuhi Rad et al.   APPLIED SURFACE SCIENCE

N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations

(2016) Ali Shokuhi Rad et al.   MOLECULAR PHYSICS

Covalent Nitrogen Doping and Compressive Strain in MoS2 by Remote N2 Plasma Exposure

(2016) Angelica Azcatl et al.   NANO LETTERS

Markedly different adsorption behaviors of gas molecules on defective monolayer MoS2: a first-principles study

(2016) Hongxing Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Gas sensor based on MoS 2 monolayer

(2016) Aliasghar Shokri et al.   SENSORS AND ACTUATORS B-CHEMICAL

Repairing sulfur vacancies in the MoS2 monolayer by using CO, NO and NO2 molecules

(2016) Dongwei Ma et al.   Journal of Materials Chemistry C

Electronic and magnetic properties of Co doped MoS2 monolayer

(2016) Yiren Wang et al.   Scientific Reports

Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers

(2015) Soo-Yeon Cho et al.   ACS Nano

First principles study of Al-doped graphene as nanostructure adsorbent for NO 2 and N 2 O: DFT calculations

(2015) Ali Shokuhi Rad   APPLIED SURFACE SCIENCE

Adsorption of acetyl halide molecules on the surface of pristine and Al-doped graphene: Ab initio study

(2015) Ali Shokuhi Rad et al.   APPLIED SURFACE SCIENCE

Molybdenum disulfide as a highly efficient adsorbent for non-polar gases

(2015) Ningning Yu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exploring atomic defects in molybdenum disulphide monolayers

(2015) Jinhua Hong et al.   Nature Communications

Gas adsorption on MoS2 monolayer from first-principles calculations

(2014) Shijun Zhao et al.   CHEMICAL PHYSICS LETTERS

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

A practical carbon dioxide gas sensor using room-temperature hydrogen plasma reduced graphene oxide

(2013) Syed Muhammad Hafiz et al.   SENSORS AND ACTUATORS B-CHEMICAL

Adsorption of gas molecules on monolayer MoS2 and effect of applied electric field

(2013) Qu Yue et al.   Nanoscale Research Letters

Hydrogen adsorption on and diffusion through MoS2 monolayer: First-principles study

(2012) Eugene Wai Keong Koh et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Dissociation of H2O at the vacancies of single-layer MoS2

(2012) C. Ataca et al.   PHYSICAL REVIEW B

Functionalization of Single-Layer MoS2 Honeycomb Structures

(2011) C. Ataca et al.   Journal of Physical Chemistry C

Adsorption of CO2, CH4, N2O, and N2on MOF-5, MOF-177, and Zeolite 5A

(2010) Dipendu Saha et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CO2Adsorption on Carbon Models of Organic Constituents of Gas Shale and Coal

(2010) Yangyang Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Atomically ThinMoS2: A New Direct-Gap Semiconductor

(2010) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

Partial Hessian Vibrational Analysis of Organic Molecules Adsorbed on Si(100)

(2008) Nicholas A. Besley et al.   Journal of Physical Chemistry C