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Cheng Fu et al.
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Jiale Qu et al.
CHINESE JOURNAL OF CATALYSIS (2021)
Novel two-dimensional MOF as a promising single-atom electrocatalyst for CO2 reduction: A theoretical study
Qianyi Cui et al.
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Yu Hao et al.
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Hui Xu et al.
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Lei Shi et al.
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Lu Wen et al.
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Single transition metal atoms on nitrogen-doped carbon for CO2 electrocatalytic reduction: CO production or further CO reduction?
Chen Guo et al.
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Competing Effects of pH, Cation Identity, H2O Saturation, and N2 Concentration on the Activity and Selectivity of Electrochemical Reduction of N2 to NH3 on Electrodeposited Cu at Ambient Conditions
Nishithan C. Kani et al.
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Single Atoms on a Nitrogen-Doped Boron Phosphide Monolayer: A New Promising Bifunctional Electrocatalyst for ORR and OER
Hanghang Zeng et al.
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Mengkai Yao et al.
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High-loading intrinsic active sites for ammonia synthesis using efficient single-atom catalyst: 2D tungsten-porphyrin sheet
Xue Yao et al.
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The rational design of single-atom catalysts for electrochemical ammonia synthesis via a descriptor-based approach
Jun Long et al.
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Tuning the electronic structure of transition metals embedded in nitrogen-doped graphene for electrocatalytic nitrogen reduction: a first-principles study
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Al doped MoS2 monolayer: A promising low-cost single atom catalyst for CO oxidation
Donglin Li et al.
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Benyuan Ma et al.
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Lan Hui et al.
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Feifei Li et al.
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Greatly Improving Electrochemical N2 Reduction over TiO2 Nanoparticles by Iron Doping
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Cobalt-Modulated Molybdenum-Dinitrogen Interaction in MoS2 for Catalyzing Ammonia Synthesis
Jing Zhang et al.
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Recent Developments in Nitrogen Reduction Catalysts: A Virtual Issue
Shelley D. Minteer et al.
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Theoretical Screening of Single Transition Metal Atoms Embedded in MXene Defects as Superior Electrocatalyst of Nitrogen Reduction Reaction
Lei Li et al.
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Self-organized growth of flower-like SnS2 and forest-like ZnS nanoarrays on nickel foam for synergistic superiority in electrochemical ammonia synthesis
Xingxing Chen et al.
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Atomic Nb Anchoring on Graphdiyne as a New Potential Electrocatalyst for Nitrogen Fixation: A Computational View
Xing-Qi Han et al.
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Single molybdenum atom anchored on 2D Ti2NO2 MXene as a promising electrocatalyst for N2 fixation
Yuwen Cheng et al.
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Electrochemical nitrogen fixation and utilization: theories, advanced catalyst materials and system design
Wenhan Guo et al.
CHEMICAL SOCIETY REVIEWS (2019)
Chromium Oxynitride Electrocatalysts for Electrochemical Synthesis of Ammonia Under Ambient Conditions
Yao Yao et al.
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Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates
Manuel Bonilla et al.
NATURE NANOTECHNOLOGY (2018)
Nitrogen fixation and reduction at boron
Marc-Andre Legare et al.
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Suppression of Hydrogen Evolution Reaction in Electrochemical N-2 Reduction Using Single-Atom Catalysts: A Computational Guideline
Changhyeok Choi et al.
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Rational Electrode-Electrolyte Design for Efficient Ammonia Electrosynthesis under Ambient Conditions
Bryan H. R. Suryanto et al.
ACS ENERGY LETTERS (2018)
High-performance artificial nitrogen fixation at ambient conditions using a metal-free electrocatalyst
Weibin Qiu et al.
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Feasibility of N2 Binding and Reduction to Ammonia on Fe-Deposited MoS2 2D Sheets: A DFT Study
Luis Miguel Azofra et al.
CHEMISTRY-A EUROPEAN JOURNAL (2017)
LOBSTER: A Tool to Extract Chemical Bonding from Plane-Wave Based DFT
Stefan Maintz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
A Stable Single-Site Palladium Catalyst for Hydrogenations
Gianvito Vile et al.
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The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations
Joseph H. Montoya et al.
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Realization of a p-n junction in a single layer boron-phosphide
Deniz Cakir et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study
Deniz Cakir et al.
APPLIED PHYSICS LETTERS (2014)
Challenges in reduction of dinitrogen by proton and electron transfer
Cornelis J. M. van der Ham et al.
CHEMICAL SOCIETY REVIEWS (2014)
Developing more sustainable processes for ammonia synthesis
Yoshiaki Tanabe et al.
COORDINATION CHEMISTRY REVIEWS (2013)
A theoretical evaluation of possible transition metal electro-catalysts for N-2 reduction
Egill Skulason et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
Volker L. Deringer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Single-atom catalysis of CO oxidation using Pt1/FeOx
Botao Qiao et al.
NATURE CHEMISTRY (2011)
Comprehensive mechanism and structure-sensitivity of ethanol oxidation on platinum: New transition-state searching method for resolving the complex reaction network
Hui-Fang Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures
Atsushi Togo et al.
PHYSICAL REVIEW B (2008)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Energy efficiency improvements in ammonia production - perspectives and uncertainties
I Rafiqul et al.
ENERGY (2005)
Ammonia synthesis from first-principles calculations
K Honkala et al.
SCIENCE (2005)
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Norskov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Agricultural sustainability and intensive production practices
D Tilman et al.
NATURE (2002)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
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