Nanostructured MoS3/WSe2 thin-film photocathode for efficient water splitting under light illumination

2020 ◽  
pp. 5-18
Author(s):  
V. N. Nevolin ◽  
◽  
R. I. Romanov ◽  
D. V. Fominski ◽  
O. V. Rubinkovskaya ◽  
...  
Keyword(s):  
Thin Film ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Substrate Surface ◽  
Molybdenum Sulfide ◽  
Carbon Substrate ◽  
High Catalytic Activity ◽  
Light Illumination

The influence of the chemical state of the WOу thin-film precursor on the formation of WSe2 nanofilms under rapid selenization on a glassy-carbon substrate at 900°C was studied. Amorphous molybdenum sulfide (MoSx~3), which has high catalytic activity in the electrochemical hydrogen evolution reaction, was prepared on the surface of the WSe2 films by pulsed laser deposition. It was shown that the composition of the WOу precursors had a significant effect on the morphology of WSe2 nanolayers, and this characteristic largely determined the efficiency of hydrogen evolution by the MoS3/WSe2 heterostructure upon photo-activated water splitting. The most efficient hydrogen evolution was found for the MoS3/WSe2 photocathode that contained WSe2 in the form of petal crystals of ~ 50 nm thickness and these petals were oriented perpendicular to the substrate surface. A theoretical analysis of the possible effect of synergetic interaction at the MoS3/WSe2 interface on the efficiency of hydrogen formation was carried out. Calculations using the density functional theory showed that MoS3 clusters can increase the efficiency of the hydrogen evolution reaction in contact with surface areas of WSe2 nanocrystals possessing different atomic packing.

scholarly journals Engineering single-atomic ruthenium catalytic sites on defective nickel-iron layered double hydroxide for overall water splitting

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Panlong Zhai ◽  
Mingyue Xia ◽  
Yunzhen Wu ◽  
Guanghui Zhang ◽  
Junfeng Gao ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Layered Double Hydroxide ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Density Functional ◽  
Rational Design ◽  
Single Atom ◽  
Nickel Iron ◽  
Double Hydroxide

AbstractRational design of single atom catalyst is critical for efficient sustainable energy conversion. However, the atomic-level control of active sites is essential for electrocatalytic materials in alkaline electrolyte. Moreover, well-defined surface structures lead to in-depth understanding of catalytic mechanisms. Herein, we report a single-atomic-site ruthenium stabilized on defective nickel-iron layered double hydroxide nanosheets (Ru1/D-NiFe LDH). Under precise regulation of local coordination environments of catalytically active sites and the existence of the defects, Ru1/D-NiFe LDH delivers an ultralow overpotential of 18 mV at 10 mA cm−2 for hydrogen evolution reaction, surpassing the commercial Pt/C catalyst. Density functional theory calculations reveal that Ru1/D-NiFe LDH optimizes the adsorption energies of intermediates for hydrogen evolution reaction and promotes the O–O coupling at a Ru–O active site for oxygen evolution reaction. The Ru1/D-NiFe LDH as an ideal model reveals superior water splitting performance with potential for the development of promising water-alkali electrocatalysts.

A selectively exposed crystal facet-engineered TiO2 thin film photoanode for the higher performance of the photoelectrochemical water splitting reaction

2015 ◽  
Vol 8 (12) ◽  
pp. 3646-3653 ◽  
Author(s):  
Chang Woo Kim ◽  
So Jin Yeob ◽  
Hui-Ming Cheng ◽  
Young Soo Kang
Keyword(s):  
Thin Film ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Tio2 Thin Film ◽  
Photoelectrochemical Water Splitting ◽  
Crystal Facet

A selectively exposed (101)-crystal facet engineered TiO2 photoanode is investigated for the higher efficiency of the hydrogen evolution reaction.

scholarly journals Theoretical Insights into the Hydrogen Evolution Reaction on the Ni3N Electrocatalyst

Catalysts ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 716
Author(s):  
Russell W. Cross ◽  
Sachin R. Rondiya ◽  
Nelson Y. Dzade
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Water Dissociation ◽  
Metallic Nickel ◽  
Surface Stability ◽  
Adsorption Sites ◽  
Surface Energies

Ni-based catalysts are attractive alternatives to noble metal electrocatalysts for the hydrogen evolution reaction (HER). Herein, we present a dispersion-corrected density functional theory (DFT-D3) insight into HER activity on the (111), (110), (001), and (100) surfaces of metallic nickel nitride (Ni3N). A combination of water and hydrogen adsorption was used to model the electrode interactions within the water splitting cell. Surface energies were used to characterise the stabilities of the Ni3N surfaces, along with adsorption energies to determine preferable sites for adsorbate interactions. The surface stability order was found to be (111) < (100) < (001) < (110), with calculated surface energies of 2.10, 2.27, 2.37, and 2.38 Jm−2, respectively. Water adsorption was found to be exothermic at all surfaces, and most favourable on the (111) surface, with Eads = −0.79 eV, followed closely by the (100), (110), and (001) surfaces at −0.66, −0.65, and −0.56 eV, respectively. The water splitting reaction was investigated at each surface to determine the rate determining Volmer step and the activation energies (Ea) for alkaline HER, which has thus far not been studied in detail for Ni3N. The Ea values for water splitting on the Ni3N surfaces were predicted in the order (001) < (111) < (110) < (100), which were 0.17, 0.73, 1.11, and 1.60 eV, respectively, overall showing the (001) surface to be most active for the Volmer step of water dissociation. Active hydrogen adsorption sites are also presented for acidic HER, evaluated through the ΔGH descriptor. The (110) surface was shown to have an extremely active Ni–N bridging site with ΔGH = −0.05 eV.

scholarly journals Overall electrochemical splitting of water at the heterogeneous interface of nickel and iron oxide

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Bryan H. R. Suryanto ◽  
Yun Wang ◽  
Rosalie K. Hocking ◽  
William Adamson ◽  
Chuan Zhao
Keyword(s):  
Iron Oxide ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
Density Functional ◽  
Coupling Effect ◽  
Alkaline Media ◽  
Oxide Interface

AbstractEfficient generation of hydrogen from water-splitting is an underpinning chemistry to realize the hydrogen economy. Low cost, transition metals such as nickel and iron-based oxides/hydroxides have been regarded as promising catalysts for the oxygen evolution reaction in alkaline media with overpotentials as low as ~200 mV to achieve 10 mA cm−2, however, they are generally unsuitable for the hydrogen evolution reaction. Herein, we show a Janus nanoparticle catalyst with a nickel–iron oxide interface and multi-site functionality for a highly efficient hydrogen evolution reaction with a comparable performance to the benchmark platinum on carbon catalyst. Density functional theory calculations reveal that the hydrogen evolution reaction catalytic activity of the nanoparticle is induced by the strong electronic coupling effect between the iron oxide and the nickel at the interface. Remarkably, the catalyst also exhibits extraordinary oxygen evolution reaction activity, enabling an active and stable bi-functional catalyst for whole cell water-splitting with, to the best of our knowledge, the highest energy efficiency (83.7%) reported to date.

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

2019 ◽  
Author(s):  
Xi Yin ◽  
Ling Lin ◽  
Hoon T. Chung ◽  
Ulises Martinez ◽  
Andrew M. Baker ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Low Cost ◽  
Membrane Electrode Assembly ◽  
Carbon Surface ◽  
Membrane Electrode ◽  
Durability Test ◽  
Onset Potential ◽  
Precious Metal Catalysts

Finding a low-cost and stable electrocatalyst for hydrogen evolution reaction (HER) as a replacement for scarce and expensive precious metal catalysts has attracted significant interest from chemical and materials research communities. Here, we demonstrate an organic catalyst based on 2,2’-dipyridylamine (dpa) molecules adsorbed on carbon surface, which shows remarkable hydrogen evolution activity and performance durability in strongly acidic polymer electrolytes without involving any metal. The HER onset potential at dpa adsorbed on carbon has been found to be less than 50 mV in sulfuric acid and in a Nafion-based membrane electrode assembly (MEA). At the same time, this catalyst has shown no performance loss in a 60-hour durability test. The HER reaction mechanisms and the low onset overpotential in this system are revealed based on electrochemical study. Density functional theory (DFT) calculations suggest that the pyridyl-N functions as the active site for H adsorption with a free energy of -0.13 eV, in agreement with the unusually low onset overpotential for an organic molecular catalyst.<br>

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

2019 ◽  
Author(s):  
Xi Yin ◽  
Ling Lin ◽  
Hoon T. Chung ◽  
Ulises Martinez ◽  
Andrew M. Baker ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Low Cost ◽  
Membrane Electrode Assembly ◽  
Carbon Surface ◽  
Membrane Electrode ◽  
Durability Test ◽  
Onset Potential ◽  
Precious Metal Catalysts

Finding a low-cost and stable electrocatalyst for hydrogen evolution reaction (HER) as a replacement for scarce and expensive precious metal catalysts has attracted significant interest from chemical and materials research communities. Here, we demonstrate an organic catalyst based on 2,2’-dipyridylamine (dpa) molecules adsorbed on carbon surface, which shows remarkable hydrogen evolution activity and performance durability in strongly acidic polymer electrolytes without involving any metal. The HER onset potential at dpa adsorbed on carbon has been found to be less than 50 mV in sulfuric acid and in a Nafion-based membrane electrode assembly (MEA). At the same time, this catalyst has shown no performance loss in a 60-hour durability test. The HER reaction mechanisms and the low onset overpotential in this system are revealed based on electrochemical study. Density functional theory (DFT) calculations suggest that the pyridyl-N functions as the active site for H adsorption with a free energy of -0.13 eV, in agreement with the unusually low onset overpotential for an organic molecular catalyst.<br>

Hierarchically porous FeNi3@FeNi layered double hydroxide nanostructures: One-step fast electrodeposition and highly efficient electrocatalytic performances for overall water splitting

2021 ◽  
Author(s):  
Zihao Liu ◽  
Shifeng Li ◽  
Fangfang Wang ◽  
Mingxia Li ◽  
Yonghong Ni
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Layered Double Hydroxide ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
Electrocatalytic Activity ◽  
Hierarchically Porous ◽  
One Step ◽  
Double Hydroxide

FeNi-layered double hydroxide (LDH) is thought to be an excellent electrocatalyst for oxygen evolution reaction (OER), but it always shows extremely poor electrocatalytic activity toward hydrogen evolution reaction (HER) in...

3D flexible hydrogen evolution electrodes with Se-promoted molybdenum sulfide nanosheet arrays

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11077-11080 ◽  
Author(s):  
Zonghua Pu ◽  
Shiyong Wei ◽  
Zhibao Chen ◽  
Shichun Mu
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Molybdenum Sulfide ◽  
Carbon Cloth ◽  
Nanosheet Arrays

Se-promoted molybdenum sulfide nanosheet arrays supported on carbon cloth are developed as a novel electrocatalyst for hydrogen evolution reaction.

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