Functionalized Metal Chalcogenides for Hydrogen Evolution

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Solution Overview

Problem

Current catalysts for the electrochemical reduction of protons to molecular hydrogen, such as platinum, are too expensive and not produced on a large enough scale to be a viable global energy resource, necessitating a lower-cost, high-efficiency alternative.

Innovation Solution

A composition comprising a metal chalcogenide with a surface-bound ligand, specifically metal chalcogenides like MoS2, functionalized with electron-donating or electron-withdrawing ligands, which maintains a metallic crystalline phase and enhances the hydrogen evolution reaction (HER) catalytic activity and stability.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If platinum is used as catalyst for hydrogen evolution reaction, then catalytic efficiency is improved, but cost increases

Engineering Contradiction:
Improvecatalytic efficiencyVSAvoidcost
Core Design Contradiction:
ProductivityVSQuantity of substance

Solution Approach 1:

The patent replaces expensive platinum with cost-effective metal chalcogenide nanosheets (MoS2, WS2, MoSe2, WSe2) that provide comparable catalytic activity for hydrogen evolution reaction. The use of transition metal dichalcogenides offers a economical alternative to noble metal catalysts while maintaining high catalytic efficiency

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The patent modifies the crystalline structure of metal chalcogenides by stabilizing the metallic 1T phase through ligand functionalization. This phase transformation changes the electronic and catalytic properties of the material, enabling it to achieve platinum-like or superior catalytic activity. The metallic 1T phase exhibits higher density of states at Fermi level and enhanced catalytic performance compared to conventional semiconducting 2H phase

Inventive Principle:
Principle #35Parameter changes

2Productivity

If metallic 1T phase is used, then catalytic activity is improved, but phase stability deteriorates

Engineering Contradiction:
Improvecatalytic activityVSAvoidphase stability
Core Design Contradiction:
ProductivityVSStability of the object's composition

Solution Approach 1:

The patent introduces organic ligands (pyridine, imidazole, triazole, tetrazole and their derivatives) as intermediary molecules that coordinate with metal atoms on the surface of metal chalcogenide nanosheets. These ligands act as stabilizing agents that prevent phase transformation from metallic 1T to semiconducting 2H phase, while allowing the catalyst to maintain its high catalytic activity. The ligands form protective layers that stabilize the metastable metallic phase without blocking active sites

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The patent creates composite structures by combining metal chalcogenide nanosheets with organic ligand molecules. This composite approach integrates the high catalytic activity of metallic 1T phase metal chalcogenides with the stabilizing effect of organic ligands. The resulting hybrid material exhibits both enhanced catalytic performance and improved phase stability, solving the contradiction between activity and stability

Inventive Principle:
Principle #40Composite materials

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The functionalized metal chalcogenides demonstrate high HER catalytic current densities and stability, outperforming unfunctionalized counterparts, with the most electron-donating ligands like p-(CH3CH2)2NPh showing initial activity similar to pristine metallic MoS2 and maintaining catalytic performance under continuous H2 evolution.

Implementation Method 1

a metal chalcogenide having a surface and a ligand, where the ligand is covalently bound to the surface

Methodology Applied
Scientific EffectCovalent bonding: Chemical Bonding

Implementation Method 2

a composition that catalyzes the hydrogen evolution reaction (HER)

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 3

Electrochemical reduction of protons to molecular hydrogen (H2)

Methodology Applied
Scientific EffectElectrochemical reduction: Electrolysis

Data Source

PatentUS11028271B2Functionalized metal chalcogenides of partially it crystalline phase
Publication Date: 2021.06.08 ALLIANCE FOR ENERGY INNOVATION LLC
  • US11028271B2 patent drawing
  • US11028271B2 patent drawing
  • US11028271B2 patent drawing

AI summary

The present disclosure relates to a composition that includes a metal chalcogenide having a surface and a ligand, where the ligand is covalently bound to the surface. In some embodiments of the present disclosure, the metal chalcogenide may be defined by MXz, where Z is between 1 and 3, inclusively, M (a metal) includes at least one of Sc, Zr, Hf, Zr, Ti, Nb, Ta, V, Mo, Cr, Re, W, S, Pt, Fe, Cu, Sb, In, Zn, Cd, P, and/or Mn, and X (a chalcogenide) includes at least one of S, Se, and/or Te.