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Scopus Author ID: 55488314900

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Employment (1)

University of Minnesota: Minneapolis, US

2019 to present | Postdoctoral Associate
Employment
Source: Self-asserted source
Dihua Wu

Education and qualifications (2)

Nankai University: Tianjin, CN

2012 to 2017 | Ph. D
Education
Source: Self-asserted source
Dihua Wu

Nankai University: Tianjin, CN

2008-09-01 to 2012-06-01 | Bachelor (Chemistry Department)
Education
Source: Self-asserted source
Dihua Wu

Works (36)

New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States

Journal of Chemical Theory and Computation
2023-05-09 | Journal article
DOI: 10.1021/acs.jctc.2c01173
Contributors: Yinan Shu; Linyao Zhang; Dihua Wu; Xiye Chen; Shaozeng Sun; Donald G. Truhlar
Source: check_circle
Crossref

Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory

Chemical Science
2022 | Journal article
DOI: 10.1039/D2SC01022D
Contributors: Chen Zhou; Matthew R. Hermes; Dihua Wu; Jie J. Bao; Riddhish Pandharkar; Daniel S. King; Dayou Zhang; Thais R. Scott; Aleksandr O. Lykhin; Laura Gagliardi et al.
Source: check_circle
Crossref

Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

Journal of Chemical Theory and Computation
2022-04-12 | Journal article
DOI: 10.1021/acs.jctc.1c01115
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Dihua Wu
grade
Preferred source (of 2)‎

Calculation of the Zeeman Effect for Transition-Metal Complexes by Multiconfiguration Pair-Density Functional Theory

Journal of Chemical Theory and Computation
2021-08-10 | Journal article
DOI: 10.1021/acs.jctc.1c00208
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Dihua Wu

How Accurate Are Approximate Density Functionals for Noncovalent Interaction of Very Large Molecular Systems?

Journal of Chemical Theory and Computation
2021-07-13 | Journal article
DOI: 10.1021/acs.jctc.1c00162
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Dihua Wu
grade
Preferred source (of 2)‎

Sulfur/nickel ferrite composite as cathode with high-volumetric-capacity for lithium-sulfur battery,锂-硫电池用高体积比容量硫/铁酸镍复合正极材料

Science China Materials
2019 | Journal article
DOI: 10.1007/s40843-018-9292-7
EID:

2-s2.0-85048280469
Contributors: Zhang, Z.; Wu, D.-H.; Zhou, Z.; Li, G.-R.; Liu, S.; Gao, X.-P.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Computational Screening of 2D Materials and Rational Design of Heterojunctions for Water Splitting Photocatalysts

Small Methods
2018-05 | Journal article
DOI: 10.1002/smtd.201700359
Part of ISSN: 2366-9608
Source: Self-asserted source
Dihua Wu

First-principles computational studies on layered Na<inf>2</inf>Mn<inf>3</inf>O<inf>7</inf> as a high-rate cathode material for sodium ion batteries

Journal of Materials Chemistry A
2017 | Journal article
DOI: 10.1039/c7ta02609a
EID:

2-s2.0-85021630575
Contributors: Zhang, Z.; Wu, D.; Zhang, X.; Zhao, X.; Zhang, H.; Ding, F.; Xie, Z.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Improving Electrochemical Performances of Rechargeable Li−CO<inf>2</inf> Batteries with an Electrolyte Redox Mediator

ChemElectroChem
2017 | Journal article
DOI: 10.1002/celc.201700539
EID:

2-s2.0-85020986909
Contributors: Wang, X.-G.; Wang, C.; Xie, Z.; Zhang, X.; Chen, Y.; Wu, D.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

K<inf>1-x</inf>Mo<inf>3</inf>P<inf>2</inf>O<inf>14</inf> as Support for Single-Atom Catalysts

Journal of Physical Chemistry C
2017 | Journal article
DOI: 10.1021/acs.jpcc.7b07643
EID:

2-s2.0-85032859188
Contributors: Zhang, X.; Zhang, Z.; Wu, D.; Zhao, X.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

MnB<inf>x</inf> monolayers with quasi-planar hypercoordinate Mn atoms and unique magnetic and mechanical properties

FlatChem
2017 | Journal article
DOI: 10.1016/j.flatc.2017.07.005
EID:

2-s2.0-85030116952
Contributors: Zhang, X.; Zhang, Z.; Zhao, X.; Wu, D.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

S-Doped N-Rich Carbon Nanosheets with Expanded Interlayer Distance as Anode Materials for Sodium-Ion Batteries

Advanced Materials
2017 | Journal article
DOI: 10.1002/adma.201604108
EID:

2-s2.0-85005847540
Contributors: Yang, J.; Zhou, X.; Wu, D.; Zhao, X.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Tetragonal-structured anisotropic 2D metal nitride monolayers and their halides with versatile promises in energy storage and conversion

Journal of Materials Chemistry A
2017 | Journal article
DOI: 10.1039/c6ta10980b
EID:

2-s2.0-85011876469
Contributors: Zhang, X.; Zhang, Z.; Zhao, X.; Wu, D.; Zhang, X.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Ti<inf>2</inf>CO<inf>2</inf>MXene: A highly active and selective photocatalyst for CO<inf>2</inf>reduction

Journal of Materials Chemistry A
2017 | Journal article
DOI: 10.1039/c7ta03557h
EID:

2-s2.0-85021645063
Contributors: Zhang, X.; Zhang, Z.; Li, J.; Zhao, X.; Wu, D.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

A Ti-anchored Ti<inf>2</inf>CO<inf>2</inf> monolayer (MXene) as a single-atom catalyst for CO oxidation

Journal of Materials Chemistry A
2016 | Journal article
DOI: 10.1039/c6ta00554c
EID:

2-s2.0-84962028903
Contributors: Zhang, X.; Lei, J.; Wu, D.; Zhao, X.; Jing, Y.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Ab initio investigations on bulk and monolayer V<inf>2</inf>O<inf>5</inf>as cathode materials for Li-, Na-, K- and Mg-ion batteries

Journal of Materials Chemistry A
2016 | Journal article
DOI: 10.1039/c6ta04986a
EID:

2-s2.0-84992538882
Contributors: Zhao, X.; Zhang, X.; Wu, D.; Zhang, H.; Ding, F.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

MnPSe<inf>3</inf> Monolayer: A Promising 2D Visible-Light Photohydrolytic Catalyst with High Carrier Mobility

Advanced Science
2016 | Journal article
DOI: 10.1002/advs.201600062
EID:

2-s2.0-84988532955
Contributors: Zhang, X.; Zhao, X.; Wu, D.; Jing, Y.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Structure-modulated crystalline covalent organic frameworks as high-rate cathodes for Li-ion batteries

Journal of Materials Chemistry A
2016 | Journal article
DOI: 10.1039/C6TA07606H
EID:

2-s2.0-85000462203
Contributors: Yang, D.-H.; Yao, Z.-Q.; Wu, D.; Zhang, Y.-H.; Zhou, Z.; Bu, X.-H.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Towards visible-light water splitting Photocatalysts: Band engineering of two-dimensional A<inf>5</inf>B<inf>4</inf>O<inf>15</inf> perovskites

Nano Energy
2016 | Journal article
DOI: 10.1016/j.nanoen.2016.08.064
EID:

2-s2.0-84986921971
Contributors: Wu, D.; Zhang, X.; Jing, Y.; Zhao, X.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Computational prediction of the electronic structure and optical properties of graphene-like β-CuN<inf>3</inf>

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c5cp06208j
EID:

2-s2.0-84948424457
Contributors: Zhang, X.; Zhao, X.; Jing, Y.; Wu, D.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Computational study of catalytic effect of C&lt;inf&gt;3&lt;/inf&gt;N&lt;inf&gt;4&lt;/inf&gt; on H&lt;inf&gt;2&lt;/inf&gt; release from complex hydrides

International Journal of Hydrogen Energy
2015 | Journal article
DOI: 10.1016/j.ijhydene.2015.05.041
EID:

2-s2.0-84937730398
Contributors: Zhao, X.; Ma, Z.; Wu, D.; Zhang, X.; Jing, Y.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Designing high-voltage carbonyl-containing polycyclic aromatic hydrocarbon cathode materials for Li-ion batteries guided by Clar's theory

Journal of Materials Chemistry A
2015 | Journal article
DOI: 10.1039/c5ta05437k
EID:

2-s2.0-84941661789
Contributors: Wu, D.; Xie, Z.; Zhou, Z.; Shen, P.; Chen, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

High and anisotropic carrier mobility in experimentally possible Ti&lt;inf&gt;2&lt;/inf&gt;CO&lt;inf&gt;2&lt;/inf&gt; (MXene) monolayers and nanoribbons

Nanoscale
2015 | Journal article
DOI: 10.1039/c5nr04717j
EID:

2-s2.0-84942626469
Contributors: Zhang, X.; Zhao, X.; Wu, D.; Jing, Y.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

High Carrier Mobility and Pronounced Light Absorption in Methyl-Terminated Germanene: Insights from First-Principles Computations

Journal of Physical Chemistry Letters
2015 | Journal article
DOI: 10.1021/acs.jpclett.5b01848
EID:

2-s2.0-84946547627
Contributors: Jing, Y.; Zhang, X.; Wu, D.; Zhao, X.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Stable layered P3/P2 Na<inf>0.66</inf>Co<inf>0.5</inf>Mn<inf>0.5</inf>O<inf>2</inf> cathode materials for sodium-ion batteries

Journal of Materials Chemistry A
2015 | Journal article
DOI: 10.1039/c5ta05205j
EID:

2-s2.0-84944217909
Contributors: Chen, X.; Zhou, X.; Hu, M.; Liang, J.; Wu, D.; Wei, J.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Could Li/Ni Disorder be Utilized Positively? Combined Experimental and Computational Investigation on Pillar Effect of Ni at Li Sites on LiCoO<inf>2</inf> at High Voltages

Electrochimica Acta
2014 | Journal article
DOI: 10.1016/j.electacta.2014.08.151
EID:

2-s2.0-84908452630
Contributors: Liang, J.; Wu, D.; Hu, M.; Tian, Y.; Wei, J.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

First-principles investigations on delithiation of Li<inf>4</inf>NiTeO <inf>6</inf>

Physical Chemistry Chemical Physics
2014 | Journal article
DOI: 10.1039/c4cp01627k
EID:

2-s2.0-84904093208
Contributors: Bao, J.; Wu, D.; Tang, Q.; Ma, Z.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Tunable band structures of heterostructured bilayers with transition-metal dichalcogenide and mxene monolayer

Journal of Physical Chemistry C
2014 | Journal article
DOI: 10.1021/jp500861n
EID:

2-s2.0-84896386796
Contributors: Ma, Z.; Hu, Z.; Zhao, X.; Tang, Q.; Wu, D.; Zhou, Z.; Zhang, L.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Achieving p-type semiconducting ZnO nanowires via donor adsorption

Journal of Theoretical and Computational Chemistry
2013 | Journal article
DOI: 10.1142/S0219633613500144
EID:

2-s2.0-84876704225
Contributors: Wu, D.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

CoCO<inf>3</inf> submicrocube/graphene composites with high lithium storage capability

Nano Energy
2013 | Journal article
DOI: 10.1016/j.nanoen.2012.09.012
EID:

2-s2.0-84875081834
Contributors: Su, L.; Zhou, Z.; Qin, X.; Tang, Q.; Wu, D.; Shen, P.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Understanding Aromaticity of Graphene and Graphene Nanoribbons by the Clar Sextet Rule

Graphene Chemistry: Theoretical Perspectives
2013 | Book chapter
Part of DOI: 10.1002/9781118691281.ch3
EID:

2-s2.0-84979271171
Contributors: Wu, D.; Gao, X.; Zhou, Z.; Chen, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

ZnO-GaN heterostructured nanosheets for solar energy harvesting: Computational studies based on hybrid density functional theory

Journal of Materials Chemistry A
2013 | Journal article
DOI: 10.1039/c2ta00706a
EID:

2-s2.0-84876562716
Contributors: Zhang, H.; Wu, D.; Tang, Q.; Liu, L.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Core-shell VPO <inf>4</inf> /C anode materials for Li ion batteries: Computational investigation and sol-gel synthesis

Journal of Alloys and Compounds
2012 | Journal article
DOI: 10.1016/j.jallcom.2012.01.143
EID:

2-s2.0-84862811867
Contributors: Zhang, Y.; Zhang, X.J.; Tang, Q.; Wu, D.H.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Enhanced Li adsorption and diffusion on MoS <inf>2</inf> Zigzag nanoribbons by edge effects: A computational study

Journal of Physical Chemistry Letters
2012 | Journal article
DOI: 10.1021/jz300792n
EID:

2-s2.0-84865078175
Contributors: Li, Y.; Wu, D.; Zhou, Z.; Cabrera, C.R.; Chen, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

First-principles studies on doped graphene as anode materials in lithium-ion batteries

Theoretical Chemistry Accounts
2011 | Journal article
DOI: 10.1007/s00214-011-0961-5
EID:

2-s2.0-81555216780
Contributors: Wu, D.H.; Li, Y.F.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier

Recent progress of computational investigation on anode materials in Li ion batteries

Frontiers of Physics
2011 | Journal article
DOI: 10.1007/s11467-011-0186-z
EID:

2-s2.0-80053605517
Contributors: Wu, D.-H.; Zhou, Z.
Source: Self-asserted source
Dihua Wu via Scopus - Elsevier
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