2158 XXXI International Mineral Processing Congress 2024 Proceedings/Washington, DC/Sep 29–Oct 3
[5] Chandra A P, Gerson A R. A review of the fundamen-
tal studies of the copper activation mechanisms for
selective flotation of the sulfide minerals, sphalerite,
and pyrite[J]. Advances in colloid and interface science,
2009, 145(1–2): 97–110.
[6] Liu J, Wen S, Wang Y, et al. Transition state search
study on the migration of Cu absorbed on the S sites
of sphalerite (110) surface[J]. International Journal of
Mineral Processing, 2016, 147: 28–30.
[7] Finkelstein N P. The activation of sulfide minerals for
flotation: a review[J]. International journal of mineral
processing, 1997, 52(2–3): 81–120.
[8] Liu J, Wen S, Chen X, et al. DFT computation of
Cu adsorption on the S atoms of sphalerite (1 1 0)
surface[J]. Minerals Engineering, 2013, 46: 1–5.
[9] Long X, Chen J, Chen Y. Adsorption of ethyl xan-
thate on ZnS (110) surface in the presence of water
molecules: A DFT study[J]. Applied Surface Science,
2016, 370: 11–18.
[10] Liu J, Wen S, Deng J, et al. DFT study of ethyl xan-
thate interaction with sphalerite (1 1 0) surface in the
absence and presence of copper[J]. Applied Surface
Science, 2014, 311: 258–263.
[11] Zhang J, Li Y, Chen J. Water-oxygen interaction
on marcasite (1 0 1) surface: DFT calculation[J].
International Journal of Mining Science and Technology,
2022, 32(1): 191–199.
[12] Li Y, Chen J, Chen Y, et al. DFT+ U study on the
electronic structures and optical properties of pyrite
and marcasite[J]. Computational Materials Science,
2018, 150: 346–352.
[13] Chen Y, Liu X, Chen J. Steric hindrance effect on
adsorption of xanthate on sphalerite surface: A DFT
study[J]. Minerals Engineering, 2021, 165: 106834.
[14] Chen Y, Chen J, Guo J. A DFT study on the effect
of lattice impurities on the electronic structures and
floatability of sphalerite[J]. Minerals engineering,
2010, 23(14): 1120–1130.
[15] Chen J, Wang J, Li Y, et al. Effects of surface spa-
tial structures and electronic properties of chalco-
pyrite and pyrite on Z-200 selectivity[J]. Minerals
Engineering, 2021, 163: 106803.
[16] Wang L, Tian W W, Zhang W, et al. Boosting oxy-
gen electrocatalytic performance of Cu atom by
engineering the d-band center via secondary hetero-
atomic phosphorus modulation[J]. Applied Catalysis
B: Environmental, 2023, 338: 123043.
[17] Tao X, Ren J, Wang D, et al. Refining the d-band
center of S-scheme CdIn2S4/MnZnFe2O4 hetero-
structures by interfacial electric field with boosting
photocatalytic performance[J]. Chemical Engineering
Journal, 2023, 478: 147347.
[18] Zhao B, Long X, Zhao Q, et al. In situ Self-
heterogenization of Cu2S/CuS Nanostructures
with Modulated d Band Centers for Promoting
Photocatalytic Degradation and Hydrogen Evolution
Performances[J]. Materials Today Nano, 2023:
100362.
[19] Zhang Y, Zhang Y, Tian B, et al. D-band center
optimization of iron carbide via Cr substitution for
enhanced alkaline hydrogen evolution[J]. Materials
Today Energy, 2022, 29: 101133.
[20] Wei C D, Xue H T, Hu Y X, et al. Tuning of dp band
centers with MA (M= Co, Ni, Cu A= N, P, O, Se)
co-doped FeS2 for enhanced Li-S redox chemistry[J].
Journal of Energy Storage, 2024, 77: 109881.
[21] Kropp T, Mavrikakis M. Brønsted–Evans–Polanyi
relation for CO oxidation on metal oxides follow-
ing the Mars–van Krevelen mechanism[J]. Journal of
Catalysis, 2019, 377: 577–581.
[22] Guo L, Cao Z, Liu N, et al. Mechanisms of the water–
gas shift reaction catalyzed by carbonyl complexes
M (CO) 6 (M= Mo, W)[J]. International Journal of
Hydrogen Energy, 2016, 41(4): 2432–2446.
[23] Ma X, Zhong J, Huang W, et al. Tuning the d-band
centers of bimetallic FeNi catalysts derived from lay-
ered double hydroxides for selective electrocatalytic
reduction of nitrates[J]. Chemical Engineering Journal,
2023, 474: 145721.
[24] Luo H, Zhang X, Zhu H, et al. Tailoring d-band cen-
ter over electron traversing effect of NiM@ C-CoP
(M= Zn, Mo, Ni, Co) for high-performance electro-
catalysis hydrogen evolution[J]. Journal of Materials
Science &Technology, 2023, 166: 164–172.
[25] Zhu Q, Huang W, Huang C, et al. The d band center
as an indicator for the hydrogen solution and diffusion
behaviors in transition metals[J]. International Journal
of Hydrogen Energy, 2022, 47(90): 38445–38454.
[26] Zhang M, Li H, Ma F X, et al. IrCo single-atom alloy
catalysts with optimized d-band center for advanced
alkali-Al/acid hybrid fuel cell[J]. Chemical Engineering
Journal, 2023: 144187.
[27] Wang Y, Wang Y, Yan Y, et al. Tailoring the d-band
center of Ni on a dual-single-atom Ni–ZnNC cata-
lyst for efficient H2O2 production[J]. Materials Today
Energy, 2023, 38: 101459.
[5] Chandra A P, Gerson A R. A review of the fundamen-
tal studies of the copper activation mechanisms for
selective flotation of the sulfide minerals, sphalerite,
and pyrite[J]. Advances in colloid and interface science,
2009, 145(1–2): 97–110.
[6] Liu J, Wen S, Wang Y, et al. Transition state search
study on the migration of Cu absorbed on the S sites
of sphalerite (110) surface[J]. International Journal of
Mineral Processing, 2016, 147: 28–30.
[7] Finkelstein N P. The activation of sulfide minerals for
flotation: a review[J]. International journal of mineral
processing, 1997, 52(2–3): 81–120.
[8] Liu J, Wen S, Chen X, et al. DFT computation of
Cu adsorption on the S atoms of sphalerite (1 1 0)
surface[J]. Minerals Engineering, 2013, 46: 1–5.
[9] Long X, Chen J, Chen Y. Adsorption of ethyl xan-
thate on ZnS (110) surface in the presence of water
molecules: A DFT study[J]. Applied Surface Science,
2016, 370: 11–18.
[10] Liu J, Wen S, Deng J, et al. DFT study of ethyl xan-
thate interaction with sphalerite (1 1 0) surface in the
absence and presence of copper[J]. Applied Surface
Science, 2014, 311: 258–263.
[11] Zhang J, Li Y, Chen J. Water-oxygen interaction
on marcasite (1 0 1) surface: DFT calculation[J].
International Journal of Mining Science and Technology,
2022, 32(1): 191–199.
[12] Li Y, Chen J, Chen Y, et al. DFT+ U study on the
electronic structures and optical properties of pyrite
and marcasite[J]. Computational Materials Science,
2018, 150: 346–352.
[13] Chen Y, Liu X, Chen J. Steric hindrance effect on
adsorption of xanthate on sphalerite surface: A DFT
study[J]. Minerals Engineering, 2021, 165: 106834.
[14] Chen Y, Chen J, Guo J. A DFT study on the effect
of lattice impurities on the electronic structures and
floatability of sphalerite[J]. Minerals engineering,
2010, 23(14): 1120–1130.
[15] Chen J, Wang J, Li Y, et al. Effects of surface spa-
tial structures and electronic properties of chalco-
pyrite and pyrite on Z-200 selectivity[J]. Minerals
Engineering, 2021, 163: 106803.
[16] Wang L, Tian W W, Zhang W, et al. Boosting oxy-
gen electrocatalytic performance of Cu atom by
engineering the d-band center via secondary hetero-
atomic phosphorus modulation[J]. Applied Catalysis
B: Environmental, 2023, 338: 123043.
[17] Tao X, Ren J, Wang D, et al. Refining the d-band
center of S-scheme CdIn2S4/MnZnFe2O4 hetero-
structures by interfacial electric field with boosting
photocatalytic performance[J]. Chemical Engineering
Journal, 2023, 478: 147347.
[18] Zhao B, Long X, Zhao Q, et al. In situ Self-
heterogenization of Cu2S/CuS Nanostructures
with Modulated d Band Centers for Promoting
Photocatalytic Degradation and Hydrogen Evolution
Performances[J]. Materials Today Nano, 2023:
100362.
[19] Zhang Y, Zhang Y, Tian B, et al. D-band center
optimization of iron carbide via Cr substitution for
enhanced alkaline hydrogen evolution[J]. Materials
Today Energy, 2022, 29: 101133.
[20] Wei C D, Xue H T, Hu Y X, et al. Tuning of dp band
centers with MA (M= Co, Ni, Cu A= N, P, O, Se)
co-doped FeS2 for enhanced Li-S redox chemistry[J].
Journal of Energy Storage, 2024, 77: 109881.
[21] Kropp T, Mavrikakis M. Brønsted–Evans–Polanyi
relation for CO oxidation on metal oxides follow-
ing the Mars–van Krevelen mechanism[J]. Journal of
Catalysis, 2019, 377: 577–581.
[22] Guo L, Cao Z, Liu N, et al. Mechanisms of the water–
gas shift reaction catalyzed by carbonyl complexes
M (CO) 6 (M= Mo, W)[J]. International Journal of
Hydrogen Energy, 2016, 41(4): 2432–2446.
[23] Ma X, Zhong J, Huang W, et al. Tuning the d-band
centers of bimetallic FeNi catalysts derived from lay-
ered double hydroxides for selective electrocatalytic
reduction of nitrates[J]. Chemical Engineering Journal,
2023, 474: 145721.
[24] Luo H, Zhang X, Zhu H, et al. Tailoring d-band cen-
ter over electron traversing effect of NiM@ C-CoP
(M= Zn, Mo, Ni, Co) for high-performance electro-
catalysis hydrogen evolution[J]. Journal of Materials
Science &Technology, 2023, 166: 164–172.
[25] Zhu Q, Huang W, Huang C, et al. The d band center
as an indicator for the hydrogen solution and diffusion
behaviors in transition metals[J]. International Journal
of Hydrogen Energy, 2022, 47(90): 38445–38454.
[26] Zhang M, Li H, Ma F X, et al. IrCo single-atom alloy
catalysts with optimized d-band center for advanced
alkali-Al/acid hybrid fuel cell[J]. Chemical Engineering
Journal, 2023: 144187.
[27] Wang Y, Wang Y, Yan Y, et al. Tailoring the d-band
center of Ni on a dual-single-atom Ni–ZnNC cata-
lyst for efficient H2O2 production[J]. Materials Today
Energy, 2023, 38: 101459.