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High-Sulfur-Vacancy Amorphous Molybdenum Sulfide as a High Current Electrocatalyst in Hydrogen Evolution

Small (Weinheim an der Bergstrasse, Germany), 2016-10, Vol.12 (40), p.5530-5537

2016

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Discovery and Facile Synthesis of a New Silicon Based Family as Efficient Hydrogen Evolution Reaction Catalysts: A Computational and Experimental Investigation of Metal Monosilicides

Small (Weinheim an der Bergstrasse, Germany), 2021-02, Vol.17 (8), p.e2006153-n/a

2021

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A Novel Electrocatalyst Pd(II)@Ni3(HITP)2 for Ultrasensitive Detection of Chloramphenicol: Experimental and Computational Investigation

Chemistry : a European journal, 2023-05, Vol.29 (27), p.e202203839-n/a

2023

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Prediction of sodium binding energy on 2D VS2via machine learning: a robust accompanying method to ab initio random structure searching

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (21), p.15008-15014

2023

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First-principles investigation of the hydrogen evolution reaction of transition metal phosphides CrP, MnP, FeP, CoP, and NiP

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (3), p.235-2312

2021

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Generating large out-of-plane piezoelectric properties of atomically thin MoS2via defect engineering

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (41), p.23945-23952

2021

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Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach

Physical chemistry chemical physics : PCCP, 2015-05, Vol.17 (17), p.11367-11374

2015

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Dually functional NiSi intermetallic compounds for the efficient hydrogenation and oxidation of cinnamaldehyde

Journal of catalysis, 2024-06, Vol.434, p.115534, Article 115534

2024

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First-principles investigation of the hydrogen evolution reaction on different surfaces of pyrites MnS2, FeS2, CoS2, NiS2

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (38), p.21561-21567

2019

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Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching

ACS applied materials & interfaces, 2016-07, Vol.8 (29), p.18754-18762

2016

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Multiferroic hydrogenated graphene bilayer

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.7962-7968

2020

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A first-principles examination of conducting monolayer 1T'-MX₂ (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain

Physical chemistry chemical physics : PCCP, 2015-09, Vol.17 (33), p.21702-21708

2015

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Activating and tuning basal planes of MoO2, MoS2, and MoSe2 for hydrogen evolution reaction

Physical chemistry chemical physics : PCCP, 2015-11, Vol.17 (43), p.2935-2931

2015

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Two-dimensional MTe2 (M = Co, Fe, Mn, Sc, Ti) transition metal tellurides as sodium ion battery anode materials: Density functional theory calculations

Physics letters. A, 2018-09, Vol.382 (38), p.2781-2786

2018

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Topological metal and noncentrosymmetric superconductor α-BiPd as an efficient candidate for the hydrogen evolution reaction

Materials chemistry frontiers, 2019-10, Vol.3 (1), p.2184-2189

2019

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The potential use of glucose oxidase-imprinted polymer-coated electrodes for biofuel cells

New journal of chemistry, 2017, Vol.41 (23), p.14646-14651

2017

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A Novel Electrocatalyst Pd(II)@Ni 3 (HITP) 2 for Ultrasensitive Detection of Chloramphenicol: Experimental and Computational Investigation

Chemistry : a European journal, 2023-05, Vol.29 (27), p.e202203839

2023

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Towards the ionic limit of two-dimensional materials: monolayer alkaline earth and transition metal halides

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (38), p.20763-20771

2014

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MoSx-coated NbS2 nanoflakes grown on glass carbon: an advanced electrocatalyst for the hydrogen evolution reaction

Nanoscale, 2018-01, Vol.10 (7), p.3444-3450

2018

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Orbital ordering and Jahn-Teller distortion in Perovskite ruthenate SrRuO3

Physical review letters, 2006-08, Vol.97 (6), p.067002-067002

2006

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Role of carrier-transfer in the optical nonlinearity of graphene/Bi2Te3 heterojunctions

Nanoscale, 2020-08, Vol.12 (32), p.16956-16966

2020

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A look into atomic carbon and oxygen adsorption on 1T′-MoS2 monolayer: density functional theory calculations

Materials research express, 2017-12, Vol.4 (12)

2017

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Formation of multiple-flux-quantum vortices in mesoscopic superconductors from simulations of calorimetric, magnetic, and transport properties

Physical review letters, 2011-07, Vol.107 (5), p.057002-057002, Article 057002

2011

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Structures, frontier molecular orbitals and UV–vis spectra of RuX(PPh3)(NHCPh2)L (X = Tp and Cp; L = Cl and N3): A DFT study

Journal of organometallic chemistry, 2014-05, Vol.757, p.36-41

2014

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Quantum rotor in nanostructured superconductors

Scientific reports, 2014-04, Vol.4 (1), p.4542-4542, Article 4542

2014

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High-Sulfur-Vacancy Amorphous Molybdenum Sulfide as a High Current Electrocatalyst in Hydrogen Evolution

Discovery and Facile Synthesis of a New Silicon Based Family as Efficient Hydrogen Evolution Reaction Catalysts: A Computational and Experimental Investigation of Metal Monosilicides

A Novel Electrocatalyst Pd(II)@Ni3(HITP)2 for Ultrasensitive Detection of Chloramphenicol: Experimental and Computational Investigation

Prediction of sodium binding energy on 2D VS2via machine learning: a robust accompanying method to ab initio random structure searching

First-principles investigation of the hydrogen evolution reaction of transition metal phosphides CrP, MnP, FeP, CoP, and NiP

Generating large out-of-plane piezoelectric properties of atomically thin MoS2via defect engineering

Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach

Dually functional NiSi intermetallic compounds for the efficient hydrogenation and oxidation of cinnamaldehyde

First-principles investigation of the hydrogen evolution reaction on different surfaces of pyrites MnS2, FeS2, CoS2, NiS2

Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching

Multiferroic hydrogenated graphene bilayer

A first-principles examination of conducting monolayer 1T'-MX₂ (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain

Activating and tuning basal planes of MoO2, MoS2, and MoSe2 for hydrogen evolution reaction

Two-dimensional MTe2 (M = Co, Fe, Mn, Sc, Ti) transition metal tellurides as sodium ion battery anode materials: Density functional theory calculations

Topological metal and noncentrosymmetric superconductor α-BiPd as an efficient candidate for the hydrogen evolution reaction

The potential use of glucose oxidase-imprinted polymer-coated electrodes for biofuel cells

A Novel Electrocatalyst Pd(II)@Ni 3 (HITP) 2 for Ultrasensitive Detection of Chloramphenicol: Experimental and Computational Investigation

Towards the ionic limit of two-dimensional materials: monolayer alkaline earth and transition metal halides

MoSx-coated NbS2 nanoflakes grown on glass carbon: an advanced electrocatalyst for the hydrogen evolution reaction

Orbital ordering and Jahn-Teller distortion in Perovskite ruthenate SrRuO3

Role of carrier-transfer in the optical nonlinearity of graphene/Bi2Te3 heterojunctions

A look into atomic carbon and oxygen adsorption on 1T′-MoS2 monolayer: density functional theory calculations

Formation of multiple-flux-quantum vortices in mesoscopic superconductors from simulations of calorimetric, magnetic, and transport properties

Structures, frontier molecular orbitals and UV–vis spectra of RuX(PPh3)(NHCPh2)L (X = Tp and Cp; L = Cl and N3): A DFT study

Quantum rotor in nanostructured superconductors

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