BetaCitation Atlas

RESEARCH PAPER · Crystals · 2018

The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds

Simon Steinberg, Richard Dronskowski

Read original paper ↗

See where this research leads.

395 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-12 · complete coverage
Filter Citing Papers
Press Enter or comma to add · × to remove · searches titles and available abstracts
Journals
All journals
Most represented first · select one or more
Explore Terms In These PapersHide SuggestionsShow Suggestions

Original and current center papers stay visible as anchors.
Numbers show citations received
42 direct citing works

The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic CompoundsOriginalA unique metallic phase of H 3 S at high-pressure: sulfur in three different local environments11Exploratory Work in the Quaternary System of Ca–Eu–Cd–Sb: Synthesis, Crystal, and Electronic Structures of New Zintl Solid Solutions15Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials156Exploring Chemical Bonding in Phase‐Change Materials with Orbital‐Based Indicators32Sc-Centered Octahedron Enables High-Speed Phase Change Memory with Improved Data Retention and Reduced Power Consumption42Structural and magnetic properties of the RAl0.2Ge2 compounds (R = Tb, Dy, Ho, Er, Tm)2Compounds with Polar Metallic Bonding3Chemical Bonding and Physical Properties in Quasicrystals and Their Related Approximant Phases: Known Facts and Current Perspectives27The nature of Ni-O pairs for ethane activation on NiO(100) and NiO(110) surfaces19Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride16Prediction of improved magnetization and stability in Fe16N2 through alloying33Aluminum-silicon hydride clusters for prospective hydrogen storage6Identifying the Origins of Vacancies in the Crystal Structures of Rock Salt-type Chalcogenide Superconductors12High-pressure X-ray diffraction and Mössbauer spectroscopy study of Fe1.087Te0Enhanced ductility of III-V covalent semiconductors from electrons and holes7Bismuth as a Reactive Solvent in the Synthesis of Multicomponent Transition-Metal-Bearing Bismuthides28Introduction0Lu5Pd4Ge8, Lu3Pd4Ge4 and Yb2PdGe3: Three More Germanides Among Polar Intermetallics1Theoretical Methods0Lithium intercalation drives mechanical properties deterioration in bulk and single-layered black phosphorus: a first-principles study10Exploration of Multi-Component Vanadium and Titanium Pnictides Using Flux Growth and Conventional High-Temperature Methods3Metallic alloys at the edge of complexity: structural aspects, chemical bonding and physical properties*38Tailoring the Mechanical Properties of Earth-Abundant Transition Metal Borides via Bonding Optimization6Revisiting the Zintl‒Klemm Concept for ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Tellurides16RuAl6─An Endohedral Aluminide Superconductor17Modified Failure Mechanism of Silicon through Excess Electrons and Holes1Predicting Spinel Disorder and Its Effect on Oxygen Transport Kinetics in Hercynite18Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques19Electronic stabilization by occupational disorder in the ternary bismuthide Li3–x–y In x Bi (x ≃ 0.14, y ≃ 0.29)0Studied and Forgotten. A Fresh Look at the Li–Mn–Ge System1Enhanced strength and ductility of superhard boron carbide through injecting electrons8Atomic locations of minor dopants and their roles in the stabilization of η−Cu6Sn511Trends in Alkaline Hydrogen Evolution Activity on Cobalt Phosphide Electrocatalysts Doped with Transition Metals83Stability and bonding nature of tin borohydride3Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba2ZnP28Prediction of semiconducting SiP2 monolayer with negative Possion’s ratio, ultrahigh carrier mobility and CO2 capture ability59Observation of an Unexpected n-Type Semiconducting Behavior in the New Ternary Zintl Phase Eu3InAs332Bi-Doped Zirconium Alloys with Enhanced Water Oxidation Resistance3Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques13Mitigation of Jahn–Teller distortion and Na + /vacancy ordering in a distorted manganese oxide cathode material by Li substitution166Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine Learning18Theoretical insight into oxidation catalysis of chromite spinel MCr2O4 (M = Mg, Co, Cu, and Zn): Volcano plot for oxygen-vacancy formation and catalytic activity24Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties25Bonding of C 1 fragments on metal nanoclusters: a search for methane conversion catalysts with swarm intelligence16Direct Bi 3+ –Bi 3+ contacts mediated by lone pairs in the HP-BiNiO(PO 4 ) polymorph1Exploring the emerging of electronic and magnetic properties with adatom adsorption on a novel semiconductor monolayer: N 2 P 65Reversible Hydrogen Storage for NLi 4-Decorated Honeycomb BoropheneOxide0Understanding the Efficacy of Concentrated Interstitial Carbon in Enhancing the Pitting Corrosion Resistance of Stainless Steel56Superalkali NLi4 anchored on BN sheets for reversible hydrogen storage31Frustrated Packing in Simple Structures: Chemical Pressure Hindrance to Isolobal Bonds in the TiAl3 type and ZrAl2.6Sn0.49Nitrogen Dissolution in Liquid Ga and Fe: Comprehensive Ab Initio Analysis, Relevance for Crystallization of GaN6Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures16Structure‐composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys8Capture and separation of CO2 on BC3 nanosheets: A DFT study119Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder37Formaldehyde Molecules Adsorption on Zn Doped Monolayer MoS2: A First-Principles Calculation25Structural Uniqueness of the [Nb(As5)2]5– Cluster in the Zintl Phase Cs5NbAs104Superconductivity in the Endohedral Ga Cluster Compound PdGa513The Nature of Chemical Bonds in the Tetragonal Polymorph of InTe: First‐Principles‐Based Topological Analysis6First-Principles Calculations of Heteroanionic Monochalcogenide Alloy Nanosheets with Direction-dependent Properties for Anisotropic Optoelectronics6A DFT study of Ti3C2O2 MXenes quantum dots supported on single layer graphene: Electronic structure an hydrogen evolution performance27Overlooked Binary Compounds Uncovered in the Reinspection of the La–Au System: Synthesis, Crystal Structures, and Electronic Properties of La7Au3, La3Au2, and La3Au43Long‐Range Forces in Rock‐Salt‐Type Tellurides and How they Mirror the Underlying Chemical Bonding61Tutorial on Chemical Pressure Analysis: How Atomic Packing Drives Laves/Zintl Intergrowth in K3Au5Tl16Computational Study of the Effect of Doping with Ti on NaAlH4 Nanocluster Dehydrogenation2Ethane dehydrogenation over the single-atom alloy catalysts: Screening out the excellent catalyst with the dual descriptors23Sr7N2Sn3: a layered antiperovskite-type nitride stannide containing zigzag chains of Sn4 polyanions5Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations5Two Polymorphs of BaZn2P2: Crystal Structures, Phase Transition, and Transport Properties23Exploring the frontier between polar intermetallics and Zintl phases for the examples of the prolific ALnTnTe3-type alkali metal (A) lanthanide (Ln) late transition metal (Tn) tellurides7Synthesis, crystal and electronic structure of BaLi2Cd2Ge25Erratum to: A DFT study of Ti3C2O2 MXenes quantum dots supported on single layer graphene: Electronic structure and hydrogen evolution performance2Role of facet in the competitive pathway of ethylene epoxidation3Rb 3 Er 4 Cu 5 Te 10 : Exploring the Frontier between Polar Intermetallics and Zintl‐Phases via Experimental and Quantumchemical Approaches11Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo1Metallic versus covalent interactions in Li-doped gallium clusters4Theoretical insights to elastic and thermal properties of WB4 tetraborides: A first-principles calculation14Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels8Substitution effect on electronic and optical properties of Tetraphenyldipyranylidene; A theoretical study3Copper-Stabilized P′2-Type Layered Manganese Oxide Cathodes for High-Performance Sodium-Ion Batteries57Electronic and Thermoelectric Properties of Transition-Metal Dichalcogenides48Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)10Electrochemical Hydrogen Peroxide Synthesis from Selective Oxygen Reduction over Metal Selenide Catalysts78Computational understanding role of vacancies and distortions in wurtzite ferroelectric memory materials: implications for device miniaturization10Strain induced magnetic hysteresis in MoS 2 and WS 2 monolayers with symmetric double sulfur vacancy defects1Roles of optical phonons and logarithmic profile of electron-phonon coupling integration in superconducting Sc0.5Y0.5H6 superhydride under pressures25Altering Ligand Fields in Single-Atom Sites through Second-Shell Anion Modulation Boosts the Oxygen Reduction Reaction404Atomical Reconstruction and Cationic Reordering for Nickel‐Rich Layered Cathodes169Revealing the impact of acceptor dopant type on the electrical conductivity of sodium bismuth titanate22Computational identification of facet-dependent CO2 initial activation and hydrogenation over iron carbide catalyst18Investigation of mechanical, lattice dynamical, electronic and thermoelectric properties of half Heusler chalcogenides: A DFT study8Atomically Precise Core-Tailored Metal Chalcogenide Nanoclusters: Tuning the Electronic Structure and Magnetic Properties16Mixed Chalcogenide‐Halides for Stable, Lead‐Free and Defect‐Tolerant Photovoltaics: Computational Screening and Experimental Validation of CuBiSCl 2 with Ideal Band Gap35On the Effects of Aliovalent Substitutions in Thermoelectric Zintl Pnictides. Varied Polyanionic Dimensionality and Complex Structural Transformations─The Case of Sr3ZnP3 vs Sr3AlxZn1–xP322Reversible hydrogen storage for NLi4-Decorated honeycomb borophene oxide27Theoretical Studies on the Role of Guest in α-CL-20/Guest Crystals11Breaking the Linear Relation in the Dissociation of Nitrogen on Iron Surfaces14Electron–Hole Excitation Induced Softening in Boron Carbide-Based Superhard Materials1Stability, metallicity, and magnetism in niobium silicide nanofilms6Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means11Automated Bonding Analysis with Crystal Orbital Hamilton Populations64Flux Growth, Crystal Structures, and Electronic Properties of the Ternary Intermetallic Compounds Ca3Pd4Bi8 and Ca3Pt4Bi86Ab initio molecular dynamics simulation of structural and elastic properties of SiO 2 –P 2 O 5 –Al 2 O 3 –Na 2 O glass15Structural defects in compounds ZnXSb (X=Cr, Mn, Fe) : Origin of disorder and its relationship with electronic properties9Identifying Substrate-Dependent Chemical Bonding Nature at Molecule/Metal Interfaces Using Vibrational Sum Frequency Generation Spectroscopy and Theoretical Calculations6First-principles studies of monolayers MoSi2N4 decorated with transition metal single-atom for visible light-driven high-efficient CO2 reduction by strain and electronic engineering26Exploring the Impact of Lone Pairs on the Structural Features of Alkaline‐Earth (A) Transition‐Metal (M,M’) Chalcogenides (Q) AMM'Q322Nanotube Matrices for Flexible SnIP Nanowires4Highly Strained Bi‐MOF on Bismuth Oxyhalide Support with Tailored Intermediate Adsorption/Desorption Capability for Robust CO2 Photoreduction11Highly Strained Bi‐MOF on Bismuth Oxyhalide Support with Tailored Intermediate Adsorption/Desorption Capability for Robust CO2 Photoreduction153Origin of the unusual property contrast in K2Bi8Se13 phase-change material0Synthesis, crystal and electronic structure of BaLixCd13–x (x ≈ 2)1Intermetallic materials4Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study10The Exotically Stoichiometric Compounds and Superconductivity of Lithium–Copper Systems under High Pressure2Synthesis, Crystal and Electronic Structure of the New Ternary Compound Ca3InAs36Chemical bonding with plane waves9The effect of solute segregation on stability and strength of Cu symmetrical tilt grain boundaries from the first-principles study22Exploring the subtle factors that control the structural preferences in Cu7Te49Unravelling the 2e− ORR Activity Induced by Distance Effect on Main-Group Metal InN4 Surface Based on First Principles6Enhancing the thermal stability of n-type Mg3+xSb1.5Bi0.49Te0.01 by defect manipulation24Antibonding p-d and s-p Hybridization Induce the Optimization of Thermal and Thermoelectric Performance of MGeTe3 (M = In and Sb)12Electronic Structure and Hardness of Mn3N2 Synthesized under High Temperature and High Pressure1Adjusting OH tolerance of Ni4 clusters supported on ultra-small carbon nanotube with lattice vacancies for hydrogen oxidation catalysts6H2 physisorption in fluorinated MOF-74: The role of fluorine from the perspective of electronic structure calculations12Theoretical insights into electronic structures and durability of single-atom Pd/TiN catalysts6Engineering oxygen vacancy to accelerate proton conduction in Y-doped BaZrO331Enhanced localized electron density from PdCu nanoparticle loading on a defective TiO 2 support for selective nitrate electroreduction to ammonia29Pressure-Induced Evolution of Structures and Phase Transition Of Technetium Diboride0Regulating the electronic structure of manganese-based materials to optimize the performance of zinc-ion batteries181Suppressing the initial capacity fade in Li-rich Li 5 FeO 4 with anionic redox by partial Co substitution – a first-principles study7Strain effect on the phonon transport properties of hydrogenated 2D GaN14Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor2CO adsorption on ultra-small carbon nanotubes decorated with single transition metal atoms8Electronic and mechanical properties of ScXI (X=S,Se) monolayers and their heterostructures14Modulating Electronic Structure of Atomically Dispersed Nickel Sites through Boron and Nitrogen Dual Coordination Boosts Oxygen Reduction112Intrinsic thermal stability enhancement in n-type Mg3Sb2 thermoelectrics toward practical applications41Synthesis and Crystal Structure of the Zintl Phases NaSrSb, NaBaSb and NaEuSb11Ethane Dehydrogenation over the Core–Shell Pt-Based Alloy Catalysts: Driven by Engineering the Shell Composition and Thickness14Revealing hidden phases and self-healing in antimony trichalcogenides and chalcoiodides12First-principle insights of initial hydration behavior affected by copper impurity in alite phase based on static and molecular dynamics calculations13Atomistic origin of shear induced quasi-plastic deformation in boron carbide16Prediction of Ta2C‐Type Vacancy‐Layered Structures in the Ternary Hf–Ta–C System1Electronic structure exquisite modulation of NiSe2 interface via rationally controlling Fe doping for boosting electrochemical oxygen evolution activity66Robust magnetism of the cluster assembled (Fe@In6)Ba2 crystal1Hydrogen diffusion and anti-disproportionation properties in ZrCo alloys: The effect of Sc, V, and Ni dopants20Molecular Understanding of Adhesion of Epoxy Resin to Graphene and Graphene Oxide Surfaces in Terms of Orbital Interactions33Boosting the generation of key intermediate methyl radical (CH3•) in OCM reaction on magnesium oxide catalysts by regulating the electronic state of the active site2New carbon–nitrogen–oxygen compounds as high energy density materials10Structural Transformation in LnHS (Ln = La, Nd, Gd, and Er) with Coordination Change between an S-Centered Octahedron and a Trigonal Prism4

Arrows point to the paper being cited. Selecting a paper shows its incoming citations and its known path back to the original paper.

Drag to pan · Use + / − to zoom · Escape to close43 nodes / 53 citation links
Browse Matching Papers

Papers that cite this work

395 direct citing papers saved. Showing the first 50 here; use Browse Matching Papers in the map for all loaded papers.

  1. A unique metallic phase of H 3 S at high-pressure: sulfur in three different local environments

    Physical Chemistry Chemical Physics · 2018-01-01

    Ashok K. Verma, Pampa Modak

    Read original paper ↗ ·

  2. Exploratory Work in the Quaternary System of Ca–Eu–Cd–Sb: Synthesis, Crystal, and Electronic Structures of New Zintl Solid Solutions

    Materials · 2018-10-31

    Alexander Ovchinnikov, Gregory M. Darone, Bayrammurad Saparov, Svilen Bobev

    Read original paper ↗ ·

  3. Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials

    RSC Advances · 2019-01-01

    Christina Ertural, Simon Steinberg, Richard Dronskowski

    Read original paper ↗ ·

  4. Exploring Chemical Bonding in Phase‐Change Materials with Orbital‐Based Indicators

    physica status solidi (RRL) - Rapid Research Letters · 2019-01-08

    Philipp M. Konze, Richard Dronskowski, Volker L. Deringer

    Read original paper ↗ ·

  5. Sc-Centered Octahedron Enables High-Speed Phase Change Memory with Improved Data Retention and Reduced Power Consumption

    ACS Applied Materials & Interfaces · 2019-02-27

    Yong Wang, Tianqi Guo, Guangyu Liu, Tao Li, Shilong Lv, Sannian Song, Yan Ming Cheng, Wenxiong Song, Kun Ren, Zhitang Song

    Read original paper ↗ ·

  6. Structural and magnetic properties of the RAl0.2Ge2 compounds (R = Tb, Dy, Ho, Er, Tm)

    Journal of Alloys and Compounds · 2019-03-23

    A. Gil, S. Baran, Teresa Jaworska-Gołąb, A. Hoser, Agnieszka Balińska, Volodymyr Pavlyuk, Andrzej Szytuła

    Read original paper ↗ ·

  7. Compounds with Polar Metallic Bonding

    Crystals · 2019-05-22

    Constantin Hoch

    Read original paper ↗ ·

  8. Chemical Bonding and Physical Properties in Quasicrystals and Their Related Approximant Phases: Known Facts and Current Perspectives

    Applied Sciences · 2019-05-24

    Enrique Maciá Barber

    Read original paper ↗ ·

  9. The nature of Ni-O pairs for ethane activation on NiO(100) and NiO(110) surfaces

    Molecular Catalysis · 2019-05-30

    Tingting Yu, Zhi Li, Huiling Zheng, Lulu Chen, Weiyu Song, Zhen Zhao, Jianmei Li, Jian Liu

    Read original paper ↗ ·

  10. Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride

    Inorganics · 2019-05-31

    Kai C. Göbgen, Kai S. Fries, Fabian C. Gladisch, Richard Dronskowski, Simon Steinberg

    Read original paper ↗ ·

  11. Prediction of improved magnetization and stability in Fe16N2 through alloying

    Journal of Applied Physics · 2019-09-06

    Nathan J. Szymanski, Vineeta Adhikari, Matthew A. Willard, Pankaj Sarin, Daniel Gall, S. V. Khare

    Read original paper ↗ ·

  12. Aluminum-silicon hydride clusters for prospective hydrogen storage

    International Journal of Hydrogen Energy · 2019-09-12

    Li Ma, Tao Zhou, Jinyun Li, Hongshan Chen

    Read original paper ↗ ·

  13. Identifying the Origins of Vacancies in the Crystal Structures of Rock Salt-type Chalcogenide Superconductors

    ACS Omega · 2019-09-13

    Jasmin Simons, Simon Steinberg

    Read original paper ↗ ·

  14. High-pressure X-ray diffraction and Mössbauer spectroscopy study of Fe1.087Te

    Physica B Condensed Matter · 2019-11-11

    Martin Bremholm, H. P. Gunnlaugsson, Jens Erik Jorgensen

    Read original paper ↗ ·

  15. Enhanced ductility of III-V covalent semiconductors from electrons and holes

    Journal of Applied Physics · 2019-11-19

    Yidi Shen, Hongwei Wang, Qi An

    Read original paper ↗ ·

  16. Bismuth as a Reactive Solvent in the Synthesis of Multicomponent Transition-Metal-Bearing Bismuthides

    Inorganic Chemistry · 2019-12-20

    Alexander Ovchinnikov, Svilen Bobev

    Read original paper ↗ ·

  17. Introduction

    Springer theses · 2020-01-01

    Riccardo Freccero

    Read original paper ↗ ·

  18. Lu5Pd4Ge8, Lu3Pd4Ge4 and Yb2PdGe3: Three More Germanides Among Polar Intermetallics

    Springer theses · 2020-01-01

    Riccardo Freccero

    Read original paper ↗ ·

  19. Theoretical Methods

    Springer theses · 2020-01-01

    Riccardo Freccero

    Read original paper ↗ ·

  20. Lithium intercalation drives mechanical properties deterioration in bulk and single-layered black phosphorus: a first-principles study

    2D Materials · 2020-01-02

    Xu Gao, Yanyu Liu, Jiawang Hong, Daining Fang

    Read original paper ↗ ·

  21. Exploration of Multi-Component Vanadium and Titanium Pnictides Using Flux Growth and Conventional High-Temperature Methods

    Frontiers in Chemistry · 2020-01-10

    Alexander Ovchinnikov, Svilen Bobev

    Read original paper ↗ ·

  22. Metallic alloys at the edge of complexity: structural aspects, chemical bonding and physical properties*

    Journal of Physics Condensed Matter · 2020-01-14

    Alexander Ovchinnikov, Volodymyr Smetana, Anja‐Verena Mudring

    Read original paper ↗ ·

  23. Tailoring the Mechanical Properties of Earth-Abundant Transition Metal Borides via Bonding Optimization

    The Journal of Physical Chemistry C · 2020-02-06

    Ziyan Zhang, Aria Mansouri Tehrani, Jakoah Brgoch

    Read original paper ↗ ·

  24. Revisiting the Zintl‒Klemm Concept for ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Tellurides

    Crystals · 2020-03-07

    Katharina Eickmeier, Kai S. Fries, Fabian C. Gladisch, Richard Dronskowski, Simon Steinberg

    Read original paper ↗ ·

  25. RuAl6─An Endohedral Aluminide Superconductor

    Chemistry of Materials · 2020-04-16

    Zuzanna Ryżyńska, Juan R. Chamorro, Tyrel M. McQueen, Piotr Wiśniewski, D. Kaczorowski, Weiwei Xie, R. J. Cava, Tomasz Klimczuk, Michal Jerzy Winiarski

    Read original paper ↗ ·

  26. Modified Failure Mechanism of Silicon through Excess Electrons and Holes

    JOM · 2020-04-28

    Yidi Shen, Qi An

    Read original paper ↗ ·

  27. Predicting Spinel Disorder and Its Effect on Oxygen Transport Kinetics in Hercynite

    ACS Applied Materials & Interfaces · 2020-05-04

    Ryan M. Trottier, Zachary J. L. Bare, Samantha L. Millican, Charles B. Musgrave

    Read original paper ↗ ·

  28. Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques

    Materials · 2020-05-09

    Sabrina Smid, Simon Steinberg

    Read original paper ↗ ·

  29. Electronic stabilization by occupational disorder in the ternary bismuthide Li3–x–y In x Bi (x ≃ 0.14, y ≃ 0.29)

    Acta Crystallographica Section C Structural Chemistry · 2020-05-20

    Alexander Ovchinnikov, Svilen Bobev

    Read original paper ↗ ·

  30. Studied and Forgotten. A Fresh Look at the Li–Mn–Ge System

    Zeitschrift für anorganische und allgemeine Chemie · 2020-05-25

    Alexander Ovchinnikov, Svilen Bobev

    Read original paper ↗ ·

  31. Enhanced strength and ductility of superhard boron carbide through injecting electrons

    Journal of the European Ceramic Society · 2020-06-04

    Yi Qiang He, Yidi Shen, Bin Tang, Qi An

    Read original paper ↗ ·

  32. Atomic locations of minor dopants and their roles in the stabilization of η−Cu6Sn5

    Physical Review Materials · 2020-06-17

    Wenhui Yang, Xuan Quy Tran, Tomokazu Yamamoto, Satoru Yoshioka, Flora Somidin, Kazuhiro Nogita, Syo Matsumura

    Read original paper ↗ ·

  33. Trends in Alkaline Hydrogen Evolution Activity on Cobalt Phosphide Electrocatalysts Doped with Transition Metals

    Cell Reports Physical Science · 2020-07-15

    Yana Men, Peng Li, Juanhua Zhou, Shengli Chen, Wei Luo

    Read original paper ↗ ·

  34. Stability and bonding nature of tin borohydride

    International Journal of Hydrogen Energy · 2020-07-29

    Li Ma, Tao Zhou, Hongshan Chen

    Read original paper ↗ ·

  35. Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba2ZnP2

    Acta Crystallographica Section C Structural Chemistry · 2020-08-10

    Adam Balvanz, Sviatoslav Baranets, Svilen Bobev

    Read original paper ↗ ·

  36. Prediction of semiconducting SiP2 monolayer with negative Possion’s ratio, ultrahigh carrier mobility and CO2 capture ability

    Chinese Chemical Letters · 2020-08-19

    Xi Fu, Houyong Yang, Ling Fu, Chaozheng He, Jinrong Huo, Jiyuan Guo, Liming Li

    Read original paper ↗ ·

  37. Observation of an Unexpected n-Type Semiconducting Behavior in the New Ternary Zintl Phase Eu3InAs3

    Chemistry of Materials · 2020-09-11

    Kalpna Rajput, Sviatoslav Baranets, Svilen Bobev

    Read original paper ↗ ·

  38. Bi-Doped Zirconium Alloys with Enhanced Water Oxidation Resistance

    The Journal of Physical Chemistry C · 2020-09-24

    Jing Zhang, Yidi Shen, Hongwei Wang, Qi An

    Read original paper ↗ ·

  39. Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques

    Crystals · 2020-10-10

    Katharina Eickmeier, Simon Steinberg

    Read original paper ↗ ·

  40. Mitigation of Jahn–Teller distortion and Na + /vacancy ordering in a distorted manganese oxide cathode material by Li substitution

    Chemical Science · 2020-11-12

    Yanchen Liu, Chenchen Wang, Shuo Zhao, Lin Zhang, Kai Zhang, Fujun Li, Jun Chen

    Read original paper ↗ ·

  41. Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine Learning

    ACS Nano · 2020-11-16

    Joshua L. Lansford, Dionisios G. Vlachos

    Read original paper ↗ ·

  42. Theoretical insight into oxidation catalysis of chromite spinel MCr2O4 (M = Mg, Co, Cu, and Zn): Volcano plot for oxygen-vacancy formation and catalytic activity

    Journal of Catalysis · 2020-11-17

    Peng Jun Zhao, Masahiro Ehara, Atsushi Satsuma, Shigeyoshi Sakaki

    Read original paper ↗ ·

  43. Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties

    RSC Advances · 2021-01-01

    Jasmin Simons, Jan Hempelmann, Kai S. Fries, Peter C. Müller, Richard Dronskowski, Simon Steinberg

    Read original paper ↗ ·

  44. Bonding of C 1 fragments on metal nanoclusters: a search for methane conversion catalysts with swarm intelligence

    Physical Chemistry Chemical Physics · 2021-01-01

    Mikiya Hori, Yuta Tsuji, Kazunari Yoshizawa

    Read original paper ↗ ·

  45. Direct Bi 3+ –Bi 3+ contacts mediated by lone pairs in the HP-BiNiO(PO 4 ) polymorph

    CrystEngComm · 2021-01-01

    Marie Colmont, Anastasiya I. Zadoya, Céline Darie, Cyril Domingos, Bastien Leclercq, Olivier Mentré

    Read original paper ↗ ·

  46. Exploring the emerging of electronic and magnetic properties with adatom adsorption on a novel semiconductor monolayer: N 2 P 6

    Physical Chemistry Chemical Physics · 2021-01-01

    Xinle Lu, Liaoxin Sun, Bing Fu, Shoutian Sun, Xiang Ye

    Read original paper ↗ ·

  47. Reversible Hydrogen Storage for NLi 4-Decorated Honeycomb BoropheneOxide

    SSRN Electronic Journal · 2021-01-01

    Xihao Chen, Jiwen Li, Qi Wu, Yuebin Tan, Peng Gao, Guangyu Zhu

    Read original paper ↗ ·

  48. Understanding the Efficacy of Concentrated Interstitial Carbon in Enhancing the Pitting Corrosion Resistance of Stainless Steel

    Acta Materialia · 2021-01-08

    Tianshu Li, Szu‐Chia Chien, Zhe Ren, Wolfgang Windl, F. Ernst, G. S. Frankel

    Read original paper ↗ ·

  49. Superalkali NLi4 anchored on BN sheets for reversible hydrogen storage

    Applied Physics Letters · 2021-03-01

    Xiang Wang, Hao Qi, Li Ma, Hongshan Chen

    Read original paper ↗ ·

  50. Frustrated Packing in Simple Structures: Chemical Pressure Hindrance to Isolobal Bonds in the TiAl3 type and ZrAl2.6Sn0.4

    Inorganic Chemistry · 2021-03-09

    Kendall R. Kamp, Daniel C. Fredrickson

    Read original paper ↗ ·
More citing papers →
Citation Atlas · A map of research, not a ranking.